{ "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" [ [ 0.9312002 0.7437347 1.637203 ] [ 0.2868751 2.587784 1.486301 ] [ 2.468756 0.0419283 1.950884 ] [ 2.101698 2.93019 0.1307908 ] [ 2.374683 2.856414 2.678274 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.312002000000001e-11 7.437347e-11 1.637203e-10 ] [ 2.868751e-11 2.587784e-10 1.486301e-10 ] [ 2.468756e-10 4.19283e-12 1.950884e-10 ] [ 2.101698e-10 2.93019e-10 1.307908e-11 ] [ 2.374683e-10 2.856414e-10 2.678274e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -796.9003084 263.0963806 -158.0841985 ] [ -58.7165452 22.3461987 17.2741754 ] [ 768.5575808 -312.6168568 156.3163309 ] [ 48.497389 15.7888848 -37.3615669 ] [ 38.5618838 11.3853928 21.855259 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.27677504322679e-06 4.215268700144187e-07 -2.532788069546065e-07 ] [ -9.407427597358646e-08 3.580255712089135e-08 2.767627996947849e-08 ] [ 1.231364987696367e-06 -5.008674192329415e-07 2.504463708172166e-07 ] [ 7.770138282564309e-08 2.529658209506449e-08 -5.985982900363513e-08 ] [ 6.178294867836627e-08 1.824141016278465e-08 3.501598501132879e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 328.9082 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.269690284294107e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.0947141 -0.0360068 1.5577377 ] [ -0.0787852 2.7673373 1.404863 ] [ 2.7398921 -0.0720113 2.5785406 ] [ 2.3699518 3.7758136 -0.2652099 ] [ 3.0374395 2.7249182 2.6075214 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.47141e-12 -3.60068e-12 1.5577377e-10 ] [ -7.87852e-12 2.7673373e-10 1.404863e-10 ] [ 2.7398921e-10 -7.20113e-12 2.5785406e-10 ] [ 2.3699518e-10 3.7758136e-10 -2.652099e-11 ] [ 3.0374395e-10 2.7249182e-10 2.6075214e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.3e-06 2.51e-05 3e-07 ] [ -2.1e-05 -3.41e-05 4.6e-06 ] [ -9.2e-06 -3.85e-05 1.43e-05 ] [ 1.67e-05 1.62e-05 9.7e-06 ] [ 1.02e-05 3.14e-05 -2.89e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.28718284864e-15 4.021463318208e-14 4.8065298624e-16 ] [ -3.36457090368e-14 -5.463422276928e-14 7.370012455680001e-15 ] [ -1.474002491136e-14 -6.16837999008e-14 2.291112567744e-14 ] [ 2.675634956736e-14 2.595526125696e-14 1.554111322176e-14 ] [ 1.634220153216e-14 5.030834589312e-14 -4.630290434112001e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.673165 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.870247205374083e-18 } }