{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 8.91287 8.315674 7.945556 7.676645 7.465314 7.291201 7.14314 7.014338 6.900359 6.798139 6.705478 6.620739 6.542674 6.470309 6.402866 6.33972 6.280354 6.224343 6.171326 6.121001 6.073106 6.027418 5.983743 5.94191 5.899619 5.856038 5.811086 5.764673 5.716702 5.667063 5.615639 5.562293 5.506879 5.449228 5.389152 5.32644 5.260847 5.192098 5.119873 5.043801 4.96345 4.878309 4.787772 4.691106 4.587422 4.475622 4.354324 4.221764 4.075636 3.912841 3.729082 3.518151 3.270593 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.91287e-10 8.315674e-10 7.945556e-10 7.676645e-10 7.465314e-10 7.291201e-10 7.14314e-10 7.014338000000001e-10 6.900359000000001e-10 6.798139000000001e-10 6.705478e-10 6.620739000000001e-10 6.542674000000001e-10 6.470309000000001e-10 6.402866e-10 6.339720000000001e-10 6.280354e-10 6.224343e-10 6.171326e-10 6.121001e-10 6.073106e-10 6.027418e-10 5.983743e-10 5.94191e-10 5.899619000000001e-10 5.856038e-10 5.811086e-10 5.764673e-10 5.716702e-10 5.667063e-10 5.615639e-10 5.562293e-10 5.506878999999999e-10 5.449228e-10 5.389152000000001e-10 5.32644e-10 5.260847000000001e-10 5.192097999999999e-10 5.119873000000001e-10 5.043801e-10 4.96345e-10 4.878309e-10 4.787772e-10 4.691106e-10 4.5874220000000004e-10 4.475622000000001e-10 4.354324e-10 4.221764e-10 4.0756360000000005e-10 3.912841e-10 3.729082e-10 3.518151e-10 3.270593e-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" [ 0.401277 0.579453 0.722375 0.845952 0.959242 1.06827 1.17375 1.27221 1.36034 1.43727 1.50382 1.5614 1.61138 1.65493 1.69297 1.72622 1.7552 1.78024 1.80151 1.81905 1.8328 1.84268 1.84863 1.85062 1.84842 1.84124 1.82803 1.80765 1.77874 1.73972 1.68875 1.62366 1.54195 1.44075 1.31675 1.16619 0.984844 0.76637 0.501643 0.179195 -0.216601 -0.707156 -1.32174 -2.10085 -3.10221 -4.41025 -6.14955 -8.5079 -11.7891 -16.5305 -23.7229 -35.2987 -55.4723 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.429166331616179e-20 9.283860571012019e-20 1.1573723459857498e-19 1.3553645278855679e-19 1.536875118751428e-19 1.71155723280318e-19 1.8805548241575e-19 2.03830513554114e-19 2.17950496229556e-19 2.3027604107491797e-19 2.4093852657418796e-19 2.5016385963276e-19 2.58171538449492e-19 2.65149017690562e-19 2.71243697606298e-19 2.7657093491434797e-19 2.8121404279968e-19 2.8522589309121596e-19 2.8863372279173396e-19 2.9144394060777e-19 2.9364693347951996e-19 2.95229883993912e-19 2.96183179091142e-19 2.96502012241308e-19 2.96149533381828e-19 2.9499917055861597e-19 2.92882695225102e-19 2.8961745924500997e-19 2.84985566596116e-19 2.7873387337024797e-19 2.7056757906675e-19 2.60139011356044e-19 2.4704762607963e-19 2.3083359854355e-19 2.1096660828195e-19 1.8684423688044599e-19 1.577894044935096e-19 1.22786010699858e-19 8.037206932096619e-20 2.8710204192963e-20 -3.4703306110103394e-20 -1.132988819792904e-19 -2.1176609442231597e-19 -3.3659327815388996e-19 -4.970288375761139e-19 -7.065999500098499e-19 -9.852665319614698e-19 -1.3631158584408598e-18 -1.88882205558894e-18 -2.6484780848336998e-18 -3.80082760707186e-18 -5.655475235057579e-18 -8.887642289423818e-18 ] } }