{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.9852487 -34.6695347 -34.7637996 ] [ 1.365218 -0.4518432 -1.1336535 ] [ -13.9481649 -4.4421253 -15.7765003 ] [ -10.4247837 -19.3282148 68.6647346 ] [ 9.7146079 53.8659375 -27.8977629 ] [ 3.2923742 12.0170128 -5.9731812 ] [ 17.9859972 -6.9912324 16.8801629 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.279377877841359e-08 -5.554671795035434e-08 -5.569774696929639e-08 ] [ 2.187320361895334e-09 -7.239326113074586e-10 -1.816313133788093e-09 ] [ -2.234742370584317e-08 -7.117069302324186e-09 -2.527673993870418e-08 ] [ -1.670234472103692e-08 -3.096721387436055e-08 1.100130324495569e-07 ] [ 1.556451765761899e-08 8.6302745719974e-08 -4.469714349100161e-08 ] [ 5.274964970165103e-09 1.925337696001435e-08 -9.570091270442089e-09 ] [ 2.881674421561426e-08 -1.120118910185948e-08 2.704500235367553e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 17.048767 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.731513590086656e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4892486 0.3817966 2.6667261 ] [ 2.8665895 2.3281012 0.6338548 ] [ 0.7272646 2.8559187 2.4248791 ] [ 2.219601 2.2962677 5.0218162 ] [ 2.5293915 4.7222748 3.5790495 ] [ 4.6039974 3.7155567 2.1699208 ] [ 4.7328605 1.6282173 3.8815071 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4892486e-10 3.817966e-11 2.6667261e-10 ] [ 2.8665895e-10 2.3281012e-10 6.338548e-11 ] [ 7.272646e-11 2.8559187e-10 2.4248791e-10 ] [ 2.219601e-10 2.2962677e-10 5.0218162e-10 ] [ 2.5293915e-10 4.722274800000001e-10 3.5790495e-10 ] [ 4.6039974e-10 3.7155567e-10 2.1699208e-10 ] [ 4.7328605e-10 1.6282173e-10 3.8815071e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.82e-05 -2.11e-05 4.6e-06 ] [ -3e-06 -4.8e-06 1.9e-06 ] [ 3.2e-06 -9.6e-06 -5.8e-06 ] [ 3.4e-06 -9.5e-06 -2.3e-06 ] [ -4.3e-06 2.63e-05 9.1e-06 ] [ 2.14e-05 2.03e-05 -6.4e-06 ] [ -2.4e-06 -1.6e-06 -1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.915961449856e-14 -3.380592669888e-14 7.370012455680001e-15 ] [ -4.8065298624e-15 -7.69044777984e-15 3.04413557952e-15 ] [ 5.126965186560001e-15 -1.538089555968e-14 -9.292624400640001e-15 ] [ 5.44740051072e-15 -1.52206778976e-14 -3.68500622784e-15 ] [ -6.889359469440001e-15 4.213724512704e-14 1.457980724928e-14 ] [ 3.428657968511999e-14 3.252418540224e-14 -1.025393037312e-14 ] [ -3.84522388992e-15 -2.56348259328e-15 -1.76239428288e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.651734 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148554877298047e-18 } }