{ "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" [ [ 2.298469 1.653345 1.333865 ] [ 0.8562694 1.609736 3.078689 ] [ 0.6106735 3.571622 1.917701 ] [ 2.573163 3.601998 2.791817 ] [ 3.634663 1.831744 3.381139 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.298469e-10 1.653345e-10 1.333865e-10 ] [ 8.562694e-11 1.609736e-10 3.078689e-10 ] [ 6.106735e-11 3.571622e-10 1.917701e-10 ] [ 2.573163e-10 3.601998e-10 2.791817e-10 ] [ 3.634663e-10 1.831744e-10 3.381139e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0273654 -1.8454004 -5.5070218 ] [ -3.1541305 -3.2536564 4.91545 ] [ -6.1128185 2.8901182 -4.0811864 ] [ 3.2106516 6.9518525 2.0592009 ] [ 4.0289321 -4.7429139 2.6135573 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.24819744569884e-09 -2.956657376894968e-09 -8.823221578195934e-09 ] [ -5.053474146052215e-09 -5.212932216196293e-09 7.87541907071136e-09 ] [ -9.793814887893726e-09 4.630479811388579e-09 -6.538781435206917e-09 ] [ 5.144030931054113e-09 1.113809554675003e-08 3.299203539510319e-09 ] [ 6.455060817410647e-09 -7.598985765047349e-09 4.187380403181172e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.1552414 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.861783866460263e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.2321029 1.4942638 2.0436092 ] [ -0.2042804 1.2110837 2.5098211 ] [ 0.5686028 3.5579476 2.1957544 ] [ 2.9930193 3.985306 2.5582323 ] [ 4.3837934 2.0198439 3.195794 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2321029e-10 1.4942638e-10 2.0436092e-10 ] [ -2.042804e-11 1.2110837e-10 2.5098211e-10 ] [ 5.686028e-11 3.5579476e-10 2.1957544e-10 ] [ 2.9930193e-10 3.985306e-10 2.5582323e-10 ] [ 4.3837934e-10 2.0198439e-10 3.195794e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.63e-05 2.1e-06 6.7e-06 ] [ -9.1e-06 -8.9e-06 3e-06 ] [ 2.95e-05 -1.5e-06 2e-06 ] [ -7e-07 -5e-07 4.3e-06 ] [ -3.6e-05 8.9e-06 -1.59e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.611547891904e-14 3.36457090368e-15 1.073458335936e-14 ] [ -1.457980724928e-14 -1.425937192512e-14 4.8065298624e-15 ] [ 4.72642103136e-14 -2.4032649312e-15 3.2043532416e-15 ] [ -1.12152363456e-15 -8.010883104e-16 6.889359469440001e-15 ] [ -5.76783583488e-14 1.425937192512e-14 -2.547460827072e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.346148 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.657635644093668e-18 } }