{ "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" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 8.12937 7.584672 7.24709 7.001819 6.809065 6.650258 6.515212 6.397734 6.293774 6.20054 6.116024 6.038735 5.967533 5.901528 5.840015 5.782419 5.728272 5.677185 5.628829 5.582927 5.539243 5.497571 5.457735 5.41958 5.381007 5.341257 5.300256 5.257923 5.214168 5.168894 5.121989 5.073333 5.02279 4.970207 4.915412 4.858212 4.798386 4.73568 4.669804 4.600419 4.527131 4.449475 4.366896 4.278727 4.184158 4.082185 3.97155 3.850643 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.12937e-10 7.584672000000001e-10 7.247090000000001e-10 7.001819e-10 6.809065000000001e-10 6.650258e-10 6.515212e-10 6.397734e-10 6.293774000000001e-10 6.200540000000001e-10 6.116024000000001e-10 6.038735e-10 5.967533e-10 5.901528e-10 5.840015e-10 5.782419e-10 5.728272e-10 5.677185e-10 5.628829e-10 5.582927e-10 5.539243e-10 5.497571e-10 5.457734999999999e-10 5.41958e-10 5.381007e-10 5.341257e-10 5.300256e-10 5.257923e-10 5.214168000000001e-10 5.168894e-10 5.121989e-10 5.073333e-10 5.022789999999999e-10 4.970207e-10 4.915412e-10 4.858212000000001e-10 4.798386e-10 4.73568e-10 4.669804e-10 4.600419e-10 4.527131e-10 4.449475e-10 4.366896e-10 4.278727e-10 4.1841580000000005e-10 4.082185e-10 3.97155e-10 3.850643e-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" [ 1.24638 1.77104 2.16182 2.47581 2.73591 2.95671 3.14728 3.31366 3.46457 3.59908 3.71922 3.8267 3.92287 4.00853 4.08085 4.14381 4.19832 4.2448 4.28358 4.31492 4.33905 4.35612 4.36628 4.36965 4.36594 4.35371 4.33106 4.29627 4.24581 4.17607 4.0825 3.95867 3.79759 3.59084 3.32702 2.99179 2.56759 2.02959 1.34716 0.480324 -0.624601 -2.03448 -3.84134 -6.16962 -9.19267 -13.1555 -18.413 -25.4977 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9969209130849198e-19 2.8375189058793596e-19 3.46361749091388e-19 3.96668493222354e-19 4.383411074726939e-19 4.73717167551414e-19 5.042498476655519e-19 5.30906862502044e-19 5.55085310085738e-19 5.76636187989672e-19 5.95884738070548e-19 6.1310493253278e-19 6.28513065221958e-19 6.42237310268802e-19 6.5382425168589e-19 6.63911555773554e-19 6.72645020605488e-19 6.800919376003199e-19 6.863051785869719e-19 6.91326400157928e-19 6.9519245237577e-19 6.979273678900079e-19 6.995551793501519e-19 7.000951128758099e-19 6.99500705344596e-19 6.97541243321214e-19 6.939123132452039e-19 6.883383407355179e-19 6.802537574403539e-19 6.69080177594838e-19 6.540886108304999e-19 6.34248857571678e-19 6.084409963512059e-19 5.75315994443256e-19 5.33047370485068e-19 4.79337603183486e-19 4.11373270369206e-19 3.2517616746000596e-19 2.1583882742594396e-19 7.695638895494159e-20 -1.0007211277730339e-19 -3.2595963183403193e-19 -6.15450519124956e-19 -9.88482100465908e-19 -1.4728281078072778e-18 -2.1077434708587e-18 -2.9500878361842e-18 -4.085181916074179e-18 ] } }