{ "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" [ [ 0.7859888 0.7922848 0.3283142 ] [ 1.326446 2.971813 1.139898 ] [ 0.4302915 2.603801 2.617302 ] [ 2.920361 1.53739 0.8701039 ] [ 1.870212 1.959004 2.746341 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.859888e-11 7.922848000000001e-11 3.283142e-11 ] [ 1.326446e-10 2.971813e-10 1.139898e-10 ] [ 4.302915e-11 2.603801e-10 2.617302e-10 ] [ 2.920361000000001e-10 1.53739e-10 8.701039000000001e-11 ] [ 1.870212e-10 1.959004e-10 2.746341e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.6018751 -5.0328547 -7.67459 ] [ 3.0827966 17.5664451 -31.9564865 ] [ -49.4897947 13.498132 18.8834837 ] [ 8.3634647 -4.3620755 -3.8620612 ] [ 41.6454085 -21.669647 24.6096539 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.770840076261662e-09 -8.063522136223397e-09 -1.229604867222547e-08 ] [ 4.939184639201729e-09 2.814454764978672e-08 -5.119993555321082e-08 ] [ -7.929139203653175e-08 2.162639151487235e-08 3.025467610339788e-08 ] [ 1.339974761122609e-08 -6.988815384264472e-09 -6.187704162738793e-09 ] [ 6.67232998623656e-08 -3.471860180438886e-08 3.942901212455954e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.24991 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.962651940890413e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4076632 1.3422706 -0.3315801 ] [ -0.0294499 2.8917224 0.6333291 ] [ 0.6010084 3.1713326 2.851771 ] [ 2.9263106 0.6642728 1.290509 ] [ 2.427767 1.7946944 3.2579302 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4076632e-10 1.3422706e-10 -3.315801e-11 ] [ -2.94499e-12 2.8917224e-10 6.333291e-11 ] [ 6.010084e-11 3.1713326e-10 2.851771e-10 ] [ 2.9263106e-10 6.642728e-11 1.290509e-10 ] [ 2.427767e-10 1.7946944e-10 3.2579302e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9e-07 -8e-07 -1.13e-05 ] [ -1.9e-06 -2e-06 -9e-07 ] [ -1e-06 4.1e-06 5.6e-06 ] [ -1e-06 -2.1e-06 1e-06 ] [ 3e-06 8e-07 5.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.44195895872e-15 -1.28174129664e-15 -1.810459581504e-14 ] [ -3.04413557952e-15 -3.2043532416e-15 -1.44195895872e-15 ] [ -1.6021766208e-15 6.568924145279999e-15 8.972189076479999e-15 ] [ -1.6021766208e-15 -3.36457090368e-15 1.6021766208e-15 ] [ 4.8065298624e-15 1.28174129664e-15 8.972189076479999e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.435516 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992389300278433e-18 } }