{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8798362 -13.930304 -3.2071648 ] [ -14.3154002 8.6298677 5.0004894 ] [ -7.7745827 0.1673513 2.5135656 ] [ 9.4138407 6.49868 -8.1568484 ] [ 1.5080517 -8.1893703 3.3634569 ] [ 1.5599607 1.2538306 2.7261325 ] [ 7.7282936 5.5699447 -2.2396313 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.011829610573513e-09 -2.231880738943672e-08 -5.138444461612708e-09 ] [ -2.293579951783564e-08 1.382657226953707e-08 8.01166720923822e-09 ] [ -1.245625463841614e-08 2.681263403204871e-10 4.027176039167125e-09 ] [ 1.508263548147551e-08 1.041203316206055e-08 -1.306871180588989e-08 ] [ 2.416165176697695e-09 -1.312081763373388e-08 5.388852010248444e-09 ] [ 2.499332562906803e-09 2.008858073763637e-09 4.367745756703055e-09 ] [ 1.238209132459827e-08 8.92403517748887e-09 -3.588284908071911e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.833373 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.697003666980596e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7502459 0.3762518 2.2959337 ] [ 1.2126784 2.3458395 2.5950956 ] [ 1.5122261 2.7244723 4.9454092 ] [ 3.5513024 2.8257757 1.7992399 ] [ 3.1526849 0.8849425 5.4532372 ] [ 4.6465271 1.4129527 3.5324788 ] [ 3.9536831 3.3344524 4.9563806 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7502459e-10 3.762518000000001e-11 2.2959337e-10 ] [ 1.2126784e-10 2.3458395e-10 2.5950956e-10 ] [ 1.5122261e-10 2.7244723e-10 4.945409200000001e-10 ] [ 3.5513024e-10 2.8257757e-10 1.7992399e-10 ] [ 3.1526849e-10 8.849425e-11 5.453237200000001e-10 ] [ 4.6465271e-10 1.4129527e-10 3.5324788e-10 ] [ 3.9536831e-10 3.3344524e-10 4.9563806e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.32e-05 -1.64e-05 1.62e-05 ] [ -1.96e-05 -7.3e-06 -1.3e-05 ] [ -2.03e-05 2.5e-05 1.08e-05 ] [ 1.67e-05 1.29e-05 7e-07 ] [ -1.33e-05 -6.4e-05 1.24e-05 ] [ -1.3e-06 -7.2e-06 -3.66e-05 ] [ 2.47e-05 5.69e-05 9.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.114873139456e-14 -2.627569658112e-14 2.595526125696e-14 ] [ -3.140266176767999e-14 -1.169588933184e-14 -2.08282960704e-14 ] [ -3.252418540224e-14 4.005441552e-14 1.730350750464e-14 ] [ 2.675634956736e-14 2.066807840832e-14 1.12152363456e-15 ] [ -2.130894905664e-14 -1.025393037312e-13 1.986699009792e-14 ] [ -2.08282960704e-15 -1.153567166976e-14 -5.863966432128e-14 ] [ 3.957376253376001e-14 9.116384972352e-14 1.538089555968e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.929518 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.833931428661278e-18 } }