{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.0191389 -14.5276745 -6.5698296 ] [ -8.2473003 4.8075523 -10.1012311 ] [ -8.88406 -0.6943786 9.8745219 ] [ 6.1065805 -2.4383274 -2.3184869 ] [ 5.3746805 -3.5101962 7.3941893 ] [ 5.5409443 2.459364 -4.6613674 ] [ 8.1282938 13.9036603 6.3822039 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.284807686452783e-08 -2.327590043849233e-08 -1.052602738775982e-08 ] [ -1.321363172537683e-08 7.702547898333268e-09 -1.618395630971787e-08 ] [ -1.423383322978445e-08 -1.112517158903835e-09 1.58207281297576e-08 ] [ 9.783820510133175e-09 -3.90663115413605e-09 -3.714625506811067e-09 ] [ 8.611187441369655e-09 -5.623954286061002e-09 1.184679722622952e-08 ] [ 8.87757141461502e-09 3.940335502837171e-09 -7.46833386923928e-09 ] [ 1.302296229335359e-08 2.227611947620512e-08 1.022541787775858e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 2.1686469 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.474555361950396e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7201367 1.7667353 2.7076488 ] [ 1.7750491 3.8865565 1.546721 ] [ 1.5565016 2.2897468 5.0622378 ] [ 4.1921334 1.842502 2.8957419 ] [ 3.92801 2.7407254 5.1925517 ] [ 4.1237575 4.1709135 2.0438449 ] [ 4.2401847 4.9740066 4.3211039 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7201367e-10 1.7667353e-10 2.7076488e-10 ] [ 1.7750491e-10 3.8865565e-10 1.546721e-10 ] [ 1.5565016e-10 2.2897468e-10 5.0622378e-10 ] [ 4.1921334e-10 1.842502e-10 2.8957419e-10 ] [ 3.92801e-10 2.7407254e-10 5.1925517e-10 ] [ 4.1237575e-10 4.1709135e-10 2.0438449e-10 ] [ 4.240184700000001e-10 4.9740066e-10 4.3211039e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.2e-06 1.94e-05 6.6e-06 ] [ 2e-05 -1.23e-05 -1.73e-05 ] [ 1.7e-06 -1.42e-05 1.33e-05 ] [ -1.68e-05 1.94e-05 -2.7e-06 ] [ 9.4e-06 1.7e-06 -9.4e-06 ] [ -3.9e-06 -5.4e-06 1.66e-05 ] [ -7.3e-06 -8.6e-06 -7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.126965186560001e-15 3.108222644352e-14 1.057436569728e-14 ] [ 3.2043532416e-14 -1.970677243584e-14 -2.771765553984e-14 ] [ 2.72370025536e-15 -2.275090801536e-14 2.130894905664e-14 ] [ -2.691656722944e-14 3.108222644352e-14 -4.32587687616e-15 ] [ 1.506046023552e-14 2.72370025536e-15 -1.506046023552e-14 ] [ -6.24848882112e-15 -8.65175375232e-15 2.659613190528e-14 ] [ -1.169588933184e-14 -1.377871893888e-14 -1.12152363456e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.267203 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.805204922840762e-18 } }