{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.18172 7.633515 7.293759 7.046908 6.852913 6.693083 6.557168 6.438933 6.334303 6.240469 6.155409 6.077622 6.005961 5.939532 5.877622 5.819656 5.76516 5.713744 5.665076 5.618879 5.574913 5.532974 5.492881 5.45448 5.415658 5.375652 5.334387 5.291782 5.247746 5.202179 5.154973 5.106004 5.055135 5.002213 4.947066 4.889497 4.829286 4.766176 4.699875 4.630044 4.556284 4.478128 4.395017 4.306281 4.211102 4.108473 3.997125 3.875439 3.741298 3.591857 3.423172 3.229544 3.002294 2.72724 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.181720000000001e-10 7.633515e-10 7.293759e-10 7.046908e-10 6.852913e-10 6.693083e-10 6.557168e-10 6.438933e-10 6.334303e-10 6.240469000000001e-10 6.155409e-10 6.077622000000001e-10 6.005961000000001e-10 5.939532e-10 5.877622e-10 5.819656000000001e-10 5.76516e-10 5.713744e-10 5.665076e-10 5.618879e-10 5.574913e-10 5.532974e-10 5.492881e-10 5.45448e-10 5.415658e-10 5.375652e-10 5.334387000000001e-10 5.291782000000001e-10 5.247746000000001e-10 5.202179e-10 5.154973e-10 5.106004000000001e-10 5.055135e-10 5.002213000000001e-10 4.947066000000001e-10 4.889497000000001e-10 4.829286e-10 4.766176e-10 4.699875e-10 4.630044e-10 4.556284e-10 4.478128e-10 4.3950170000000006e-10 4.3062810000000006e-10 4.2111020000000007e-10 4.108473e-10 3.9971250000000003e-10 3.8754390000000004e-10 3.741298e-10 3.591857e-10 3.423172e-10 3.229544e-10 3.002294e-10 2.72724e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.755847 1.15428 1.4721 1.70809 1.87615 1.99725 2.08906 2.16238 2.22357 2.27601 2.32198 2.36331 2.40131 2.43669 2.46919 2.49818 2.52322 2.54416 2.56115 2.57443 2.58428 2.59096 2.59476 2.59597 2.59471 2.59074 2.58369 2.57313 2.55796 2.53625 2.50641 2.46702 2.41651 2.35464 2.28276 2.2027 2.11689 2.02855 1.93883 1.8305 1.68672 1.47991 1.1705 0.708103 0.0194063 -1.00227 -2.52589 -4.88234 -8.83586 -16.0949 -30.7768 -64.3544 -162.546 -586.142 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.211000402278998e-19 1.8493604450935199e-19 2.3585642229113997e-19 2.73666188676906e-19 3.0059236918790996e-19 3.1999472822564997e-19 3.3470431190240397e-19 3.4645147098289202e-19 3.56255189806338e-19 3.6465700407503398e-19 3.72022210061532e-19 3.7864400608985394e-19 3.84732277299054e-19 3.90400778230146e-19 3.9560785229064603e-19 4.00252562352612e-19 4.042644126441479e-19 4.07619370515744e-19 4.1034146861691e-19 4.12469159186862e-19 4.14047303171352e-19 4.1511755716286396e-19 4.1572638428378396e-19 4.1592024765649794e-19 4.15718373400614e-19 4.1508230927691596e-19 4.1395277474994596e-19 4.12260876224442e-19 4.09830374270664e-19 4.0635204879824996e-19 4.0157115372239396e-19 3.95260179961068e-19 3.87167585782734e-19 3.7725491894817595e-19 3.65738473302984e-19 3.5291144717118e-19 3.39163169474826e-19 3.2500954109007e-19 3.10634812329822e-19 2.9327843285369997e-19 2.70242337210048e-19 2.37107722242294e-19 1.875347750097e-19 1.134506081065302e-19 3.10923204123942e-21 -1.60581357495918e-19 -4.04692193805426e-19 -7.822371067243559e-19 -1.415660843329524e-18 -2.5786872706566595e-18 -4.93098698292912e-18 -1.031071159750896e-17 -2.6042740315016398e-17 -9.39103016606028e-17 ] } }