{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.6307086 -0.7324131 9.7657203 ] [ 1.0314761 0.9881146 0.5288553 ] [ -6.9354659 4.2861395 -8.0041826 ] [ 15.3366379 -9.0543935 -6.9919614 ] [ 2.4762968 0.450522 2.3539702 ] [ -1.6460461 1.9488905 -6.4764822 ] [ 3.3678099 2.11314 8.8240805 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.18388026438575e-08 -1.173455145587653e-09 1.564640874993196e-08 ] [ 1.652606892333963e-09 1.583134110791144e-09 8.473195974461703e-10 ] [ -1.111184131933563e-08 6.867152500387402e-09 -1.282411423033416e-08 ] [ 2.457200268505521e-08 -1.450673758122349e-08 -1.120235708861604e-08 ] [ 3.967464839121854e-09 7.218158155560576e-10 3.7714760204999e-09 ] [ -2.637256578179019e-09 3.122466795599223e-09 -1.037646836586735e-08 ] [ 5.395826285078786e-09 3.385623504477312e-09 1.413773547715718e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.770764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.725666626895429e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5645547 2.2695148 3.6177391 ] [ 2.5203015 4.7946991 3.4058138 ] [ 2.8498799 3.4661599 1.2727918 ] [ 4.7004657 1.7780127 2.1316525 ] [ 4.9096435 2.6150652 4.5147213 ] [ 5.2780369 4.1601018 1.4870626 ] [ 4.9510368 4.9750946 3.7936339 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5645547e-10 2.2695148e-10 3.6177391e-10 ] [ 2.5203015e-10 4.7946991e-10 3.4058138e-10 ] [ 2.8498799e-10 3.4661599e-10 1.2727918e-10 ] [ 4.7004657e-10 1.7780127e-10 2.1316525e-10 ] [ 4.9096435e-10 2.6150652e-10 4.5147213e-10 ] [ 5.2780369e-10 4.1601018e-10 1.4870626e-10 ] [ 4.9510368e-10 4.9750946e-10 3.7936339e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.58e-05 1.96e-05 -1.96e-05 ] [ -5.05e-05 2.8e-05 1.38e-05 ] [ -1.2e-06 -1.81e-05 2.3e-05 ] [ 1.5e-06 -5.2e-06 -1.03e-05 ] [ 9.2e-06 -2.43e-05 6e-07 ] [ 2.85e-05 -2.06e-05 -2.76e-05 ] [ -3.2e-06 2.06e-05 2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.531439060864e-14 3.140266176767999e-14 -3.140266176767999e-14 ] [ -8.090991935040001e-14 4.48609453824e-14 2.211003736704e-14 ] [ -1.92261194496e-15 -2.899939683648e-14 3.68500622784e-14 ] [ 2.4032649312e-15 -8.33131842816e-15 -1.650241919424e-14 ] [ 1.474002491136e-14 -3.893289188544e-14 9.6130597248e-16 ] [ 4.56620336928e-14 -3.300483838848e-14 -4.422007473408001e-14 ] [ -5.126965186560001e-15 3.300483838848e-14 3.2043532416e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759033381772e-18 } }