{ "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" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2936276 0.0599677 -0.6079644 ] [ 1.1674878 1.2118134 -0.6302972 ] [ -0.1439064 0.3789036 -0.2537223 ] [ -5.0893461 -1.5947037 1.0333227 ] [ 2.2070504 -2.3223056 -0.531157 ] [ 2.8118629 2.6998681 -1.71727 ] [ -0.6595211 -0.4335437 2.7070883 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.704432759416141e-10 9.607884694314815e-11 -9.740663479586994e-10 ] [ 1.870521658229226e-09 1.941539098252159e-09 -1.009847437995702e-09 ] [ -2.305634696634931e-10 6.07070489456955e-10 -4.065079372356039e-10 ] [ -8.15403133657966e-09 -2.554996985243257e-09 1.655565471681932e-09 ] [ 3.536084551807288e-09 -3.720743738672917e-09 -8.510073273742656e-10 ] [ 4.505100999274888e-09 4.325665549063717e-09 -2.751369845601216e-09 ] [ -1.056669287344299e-09 -6.94613580235129e-10 4.337233584701217e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.434585 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.113763772195037e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7700351 1.1782002 3.8954217 ] [ 1.9984574 5.3525446 2.0806227 ] [ 3.0198234 3.197148 1.3786747 ] [ 1.1163203 3.3236374 3.0253866 ] [ 3.8612235 1.4895483 2.8153917 ] [ 4.1133293 4.722063 2.9560015 ] [ 3.1671381 3.1500955 4.4796961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7700351e-10 1.1782002e-10 3.8954217e-10 ] [ 1.9984574e-10 5.3525446e-10 2.0806227e-10 ] [ 3.0198234e-10 3.197148e-10 1.3786747e-10 ] [ 1.1163203e-10 3.3236374e-10 3.0253866e-10 ] [ 3.8612235e-10 1.4895483e-10 2.8153917e-10 ] [ 4.1133293e-10 4.722063e-10 2.9560015e-10 ] [ 3.1671381e-10 3.1500955e-10 4.4796961e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.1e-06 -7.8e-06 7.4e-06 ] [ 1.03e-05 -1.1e-05 -1.6e-06 ] [ -1.8e-06 6.3e-06 -1e-07 ] [ -5.1e-06 5.9e-06 -1.9e-06 ] [ 5.1e-06 4.3e-06 -8.6e-06 ] [ -4.8e-06 1e-07 -2e-07 ] [ 3e-07 2.3e-06 5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.568924145279999e-15 -1.249697764224e-14 1.185610699392e-14 ] [ 1.650241919424e-14 -1.76239428288e-14 -2.56348259328e-15 ] [ -2.88391791744e-15 1.009371271104e-14 -1.6021766208e-16 ] [ -8.17110076608e-15 9.45284206272e-15 -3.04413557952e-15 ] [ 8.17110076608e-15 6.889359469440001e-15 -1.377871893888e-14 ] [ -7.69044777984e-15 1.6021766208e-16 -3.2043532416e-16 ] [ 4.8065298624e-16 3.68500622784e-15 8.010883104e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.639617 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.467048844046624e-18 } }