{ "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" [ [ 1.931726 1.779285 1.793394 ] [ 2.022352 0.7174538 3.630998 ] [ 4.124201 0.9725878 2.711634 ] [ 3.467636 2.844975 3.645464 ] [ 5.471294 3.704408 2.165903 ] [ 3.262896 3.451778 1.529715 ] [ 3.831227 5.45457 3.339943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.931726e-10 1.779285e-10 1.793394e-10 ] [ 2.022352e-10 7.174538e-11 3.630998e-10 ] [ 4.124201e-10 9.725878e-11 2.711634e-10 ] [ 3.467636e-10 2.844975e-10 3.645464e-10 ] [ 5.471294000000001e-10 3.704408e-10 2.165903e-10 ] [ 3.262896e-10 3.451778e-10 1.529715e-10 ] [ 3.831227000000001e-10 5.454570000000001e-10 3.339943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6703877 -0.6276145 -2.2135513 ] [ 0.1370112 -1.0911044 2.5398164 ] [ 0.7766754 -2.1726603 -0.5054364 ] [ -0.0679345 1.1902489 3.7350361 ] [ -0.3177043 0.701852 0.5471647 ] [ 0.7446475 3.5131013 -3.7614851 ] [ 0.3976924 -1.5138229 -0.3415446 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.676256120611884e-09 -1.005549278775082e-09 -3.546500141801447e-09 ] [ 2.19516141427753e-10 -1.748141960532012e-09 4.069234457204421e-09 ] [ 1.244371167830488e-09 -3.480985537600314e-09 -8.097983833813171e-10 ] [ -1.088430676457376e-10 1.906988960512918e-09 5.984187517264011e-09 ] [ -5.090184017876294e-10 1.124490865661722e-09 8.766544900670457e-10 ] [ 1.193056815237168e-09 5.628608769362088e-09 -6.02656348670755e-09 ] [ 6.37173465549842e-10 -2.425411658411656e-09 -5.472147730804877e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.154627158928928 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.258623122976655e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1718561 1.7273749 1.6897929 ] [ 2.2757949 0.8292578 3.8726737 ] [ 4.2823039 1.0109913 2.6384627 ] [ 3.0835852 3.0024314 3.7166634 ] [ 5.2026317 3.2777104 2.3027484 ] [ 3.0921934 3.9940908 1.3540687 ] [ 4.0029667 5.0832009 3.2426413 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1718561e-10 1.7273749e-10 1.6897929e-10 ] [ 2.2757949e-10 8.292578000000001e-11 3.8726737e-10 ] [ 4.2823039e-10 1.0109913e-10 2.6384627e-10 ] [ 3.0835852e-10 3.0024314e-10 3.7166634e-10 ] [ 5.202631700000001e-10 3.2777104e-10 2.3027484e-10 ] [ 3.092193400000001e-10 3.9940908e-10 1.3540687e-10 ] [ 4.0029667e-10 5.083200899999999e-10 3.2426413e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.04e-05 -2.86e-05 -1.64e-05 ] [ 6.6e-06 1.81e-05 -2.41e-05 ] [ -3.5e-06 -1.48e-05 5.4e-06 ] [ 7.6e-06 2.34e-05 2.86e-05 ] [ 1.86e-05 2.03e-05 7e-06 ] [ -1.4e-05 -5e-07 5.2e-06 ] [ 5e-06 -1.8e-05 -5.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.268440306432e-14 -4.582225135488e-14 -2.627569658112e-14 ] [ 1.057436569728e-14 2.899939683648e-14 -3.861245656128e-14 ] [ -5.6076181728e-15 -2.371221398784e-14 8.65175375232e-15 ] [ 1.217654231808e-14 3.749093292672001e-14 4.582225135488e-14 ] [ 2.980048514688e-14 3.252418540224e-14 1.12152363456e-14 ] [ -2.24304726912e-14 -8.010883104e-16 8.33131842816e-15 ] [ 8.010883104e-15 -2.88391791744e-14 -9.13240673856e-15 ] ] } "relaxed-potential-energy" { "source-value" -7.946471158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.273165030869741e-18 } }