{ "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" [ [ -4.0762996 0.3107218 2.9389864 ] [ 1.0673859 -1.1991034 -0.1586079 ] [ -1.8491731 2.4702473 -2.3219604 ] [ 3.6712606 -2.8370239 -2.1198375 ] [ 0.9167661 0.3229 1.2055904 ] [ -0.671997 0.7681166 -1.7194962 ] [ 0.9420572 0.1641417 2.1753252 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.530951918496392e-09 4.978312035328935e-10 4.708775298929157e-09 ] [ 1.710140734351567e-09 -1.921175433401791e-09 -2.541178692541843e-10 ] [ -2.962701908632261e-09 3.957772471654324e-09 -3.720190667303416e-09 ] [ 5.882007902184181e-09 -4.545413365230837e-09 -3.39635408239512e-09 ] [ 1.468821212161995e-09 5.1734283085632e-10 1.93156875314092e-09 ] [ -1.076657882647737e-09 1.230658458568385e-09 -2.754936611194441e-09 ] [ 1.50934202129631e-09 2.629839942383674e-10 3.485255178077084e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.369984 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.661454592287007e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6148959 2.4585267 4.0221876 ] [ 1.8341005 4.326187 3.0346164 ] [ 3.0390931 3.9430531 1.1706621 ] [ 4.1970074 2.0098159 2.1802062 ] [ 4.9464321 2.619374 4.4526666 ] [ 5.3706101 4.1037811 1.6012582 ] [ 5.7717799 4.5979102 3.761818 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6148959e-10 2.4585267e-10 4.0221876e-10 ] [ 1.8341005e-10 4.326187e-10 3.0346164e-10 ] [ 3.0390931e-10 3.943053100000001e-10 1.1706621e-10 ] [ 4.1970074e-10 2.0098159e-10 2.1802062e-10 ] [ 4.9464321e-10 2.619374e-10 4.4526666e-10 ] [ 5.370610100000001e-10 4.1037811e-10 1.6012582e-10 ] [ 5.7717799e-10 4.597910200000001e-10 3.761818e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.8e-06 -1.11e-05 -3.17e-05 ] [ 3.82e-05 3.57e-05 -2.24e-05 ] [ -8.09e-05 -2.56e-05 1.98e-05 ] [ 9.6e-06 -4.37e-05 1.35e-05 ] [ -2.42e-05 -2.51e-05 2.29e-05 ] [ 4.04e-05 6.67e-05 7.23e-05 ] [ 8.1e-06 3e-06 -7.44e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.409915426304e-14 -1.778416049088e-14 -5.078899887936e-14 ] [ 6.120314691456e-14 5.719770536256001e-14 -3.588875630592e-14 ] [ -1.2961608862272e-13 -4.101572149248001e-14 3.172309709184e-14 ] [ 1.538089555968e-14 -7.001511832895999e-14 2.16293843808e-14 ] [ -3.877267422336e-14 -4.021463318208e-14 3.668984461632e-14 ] [ 6.472793548032e-14 1.0686518060736e-13 1.1583736968384e-13 ] [ 1.297763062848e-14 4.8065298624e-15 -1.1920194058752e-13 ] ] } "relaxed-potential-energy" { "source-value" -13.584702 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.1765091944935e-18 } }