{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1446516 0.7602583 1.64121 ] [ 0.5863284 2.091282 0.4918312 ] [ 1.988461 0.5220119 2.855455 ] [ 2.293973 2.837851 0.0455476 ] [ 2.215952 2.17866 2.777134 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.446516e-11 7.602583e-11 1.64121e-10 ] [ 5.863284e-11 2.091282e-10 4.918312e-11 ] [ 1.988461e-10 5.220119e-11 2.855455e-10 ] [ 2.293973e-10 2.837851e-10 4.55476e-12 ] [ 2.215952e-10 2.17866e-10 2.777134e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -402.6619618 -574.0067965 12.5062498 ] [ -648.3146289 35.5110154 -452.3175753 ] [ -249.4755845 -823.8695991 -42.1985989 ] [ 401.2194024 -165.7953423 1316.0688309 ] [ 899.2327728 1528.1607225 -834.0589065 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.451355812814226e-07 -9.196602695326031e-07 2.003722104344468e-08 ] [ -1.038714541346208e-06 5.689491865474876e-08 -7.246926443226036e-07 ] [ -3.997039489463149e-07 -1.319984610265889e-06 -6.760960858809659e-08 ] [ 6.428243463366274e-07 -2.656334212705933e-07 2.108574712231568e-06 ] [ 1.440729725237318e-06 2.448383382414337e-06 -1.336309680364313e-06 ] ] } "unrelaxed-potential-energy" { "source-value" 330.67018 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.297920315917278e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.3477987 0.0941675 1.6356677 ] [ 0.0088098 2.1069936 -0.3033942 ] [ 1.8234771 0.2267523 3.4260908 ] [ 2.4244263 3.4378586 0.2716398 ] [ 3.3204515 2.5242912 2.7811738 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.477987e-11 9.416750000000001e-12 1.6356677e-10 ] [ 8.809799999999999e-13 2.1069936e-10 -3.033942e-11 ] [ 1.8234771e-10 2.267523e-11 3.4260908e-10 ] [ 2.4244263e-10 3.4378586e-10 2.716398e-11 ] [ 3.3204515e-10 2.5242912e-10 2.7811738e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.65e-05 2.14e-05 1.39e-05 ] [ -1.86e-05 -1.8e-05 2.74e-05 ] [ -1.61e-05 -2.99e-05 -2.37e-05 ] [ 5.19e-05 -2e-06 8.2e-06 ] [ -4.37e-05 2.85e-05 -2.58e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.24576804512e-14 3.428657968511999e-14 2.227025502912e-14 ] [ -2.980048514688e-14 -2.88391791744e-14 4.389963940992e-14 ] [ -2.579504359488e-14 -4.790508096192e-14 -3.797158591296e-14 ] [ 8.315296661952001e-14 -3.2043532416e-15 1.313784829056e-14 ] [ -7.001511832895999e-14 4.56620336928e-14 -4.133615681664e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.190057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.953062433161938e-18 } }