{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 6.35373 5.928007 5.66416 5.472462 5.32181 5.19769 5.092141 5.000323 4.91907 4.8462 4.780145 4.719737 4.664087 4.6125 4.564422 4.519407 4.477087 4.437158 4.399364 4.363488 4.329346 4.296776 4.265641 4.23582 4.215518 4.194152 4.171602 4.147731 4.122374 4.095333 4.066368 4.035186 4.001418 3.964596 3.924111 3.879156 3.828617 3.770909 3.703656 3.623062 3.522492 3.38866 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.35373e-10 5.928007e-10 5.66416e-10 5.472462000000001e-10 5.32181e-10 5.197689999999999e-10 5.092141e-10 5.000323e-10 4.91907e-10 4.8462e-10 4.780145000000001e-10 4.719737e-10 4.664087e-10 4.6125e-10 4.5644220000000006e-10 4.519407e-10 4.477087e-10 4.4371580000000005e-10 4.399364e-10 4.3634880000000003e-10 4.3293460000000004e-10 4.2967760000000007e-10 4.265641e-10 4.2358200000000007e-10 4.2155180000000006e-10 4.194152e-10 4.171602e-10 4.1477310000000006e-10 4.122374e-10 4.0953330000000005e-10 4.0663679999999997e-10 4.0351860000000004e-10 4.0014180000000003e-10 3.9645959999999997e-10 3.924111e-10 3.8791560000000004e-10 3.828617e-10 3.770909e-10 3.7036560000000003e-10 3.623062e-10 3.5224920000000005e-10 3.38866e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.10707 1.55396 1.89548 2.1752 2.41233 2.61743 2.79704 2.95557 3.09617 3.22117 3.33235 3.43113 3.51866 3.59586 3.66351 3.72228 3.77272 3.81532 3.8505 3.87863 3.90004 3.91503 3.92385 3.92675 3.92534 3.92067 3.91199 3.89829 3.87829 3.85032 3.81211 3.76065 3.69171 3.59933 3.47481 3.30506 3.06949 2.73411 2.23893 1.46839 0.170843 -2.31444 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7737216862023798e-19 2.48971840217064e-19 3.03689376621432e-19 3.485054614276799e-19 3.8649787594972194e-19 4.19358518713062e-19 4.48135213236336e-19 4.735345194151379e-19 4.960611228891779e-19 5.160883308141779e-19 5.3390133063099e-19 5.497276314216419e-19 5.63751483499044e-19 5.76120287113524e-19 5.869590120425339e-19 5.96375004120552e-19 6.04456383062448e-19 6.112816555232879e-19 6.169181129216999e-19 6.214250357931419e-19 6.24855295966536e-19 6.272569587409019e-19 6.286700785320899e-19 6.2913470975594995e-19 6.28908802850556e-19 6.281605863624779e-19 6.267698970441659e-19 6.245749150555859e-19 6.213705617875859e-19 6.168892737422879e-19 6.107673568237739e-19 6.0252255586521e-19 5.91477150150414e-19 5.76676242405522e-19 5.56725938958954e-19 5.29528990596804e-19 4.91786515629666e-19 4.380527156785739e-19 3.5871613311616195e-19 2.35262014759926e-19 2.7372066268246196e-20 -3.7081416887949593e-19 ] } }