{ "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" [ [ 2.10043 2.130682 2.453785 ] [ 1.948071 1.785129 4.606922 ] [ 2.343053 4.336787 1.957735 ] [ 4.413531 1.079857 2.965455 ] [ 3.524463 3.435576 3.796327 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.10043e-10 2.130682e-10 2.453785e-10 ] [ 1.948071e-10 1.785129e-10 4.606922e-10 ] [ 2.343053e-10 4.336787e-10 1.957735e-10 ] [ 4.413531e-10 1.079857e-10 2.965455e-10 ] [ 3.524463e-10 3.435576e-10 3.796327e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7425168 0.8363844 -1.6396215 ] [ 1.3167267 1.9480857 0.0515412 ] [ 1.0371068 -3.324142 3.1004372 ] [ -2.0280679 1.7996752 -0.0951107 ] [ -2.0682825 -1.2600033 -1.4172462 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.791819701312451e-09 1.34003554272211e-09 -2.626963255904031e-09 ] [ 2.109628752103928e-09 3.121177389569533e-09 8.25781063283208e-11 ] [ 1.661628281922511e-09 -5.325862640498027e-09 4.967448037024385e-09 ] [ -3.249323001545448e-09 2.883397554229276e-09 -1.523841411833838e-10 ] [ -3.313753894011105e-09 -2.018747846022892e-09 -2.270678746265291e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.057925046368851 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.611457249581554e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0858154 2.0466835 2.2679713 ] [ 2.1424215 1.7700928 4.5566218 ] [ 2.4381779 4.2049316 2.0704576 ] [ 4.1135189 1.3136591 3.0857012 ] [ 3.5496143 3.4326641 3.7994721 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0858154e-10 2.0466835e-10 2.2679713e-10 ] [ 2.1424215e-10 1.7700928e-10 4.5566218e-10 ] [ 2.4381779e-10 4.2049316e-10 2.0704576e-10 ] [ 4.1135189e-10 1.3136591e-10 3.0857012e-10 ] [ 3.5496143e-10 3.4326641e-10 3.7994721e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001863 -0.0001369 -0.0001257 ] [ -5.86e-05 5.8e-05 -2.3e-05 ] [ -4.91e-05 -1.57e-05 -7.34e-05 ] [ 5.78e-05 0.0001048 -2.37e-05 ] [ 0.0002362 -1.02e-05 0.0002458 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.984855069142e-13 -2.193379811946e-13 -2.013936028938e-13 ] [ -9.38875507524e-14 9.292624477199999e-14 -3.6850062582e-14 ] [ -7.866687272939998e-14 -2.515417315379999e-14 -1.175997649356e-13 ] [ 9.26058094452e-14 1.679081112432e-13 -3.79715862258e-14 ] [ 3.784341209507999e-13 -1.63422016668e-14 3.938150166372e-13 ] ] } "relaxed-potential-energy" { "source-value" -13.140382046368849 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.105321307652527e-18 } }