{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8670835 0.0748596 0.0624467 ] [ 1.077368 0.92169 1.864842 ] [ 2.976718 2.979813 0.7013645 ] [ 1.541867 2.360612 1.695051 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.670835000000001e-11 7.48596e-12 6.24467e-12 ] [ 1.077368e-10 9.216900000000001e-11 1.864842e-10 ] [ 2.976718e-10 2.979813e-10 7.013645e-11 ] [ 1.541867e-10 2.360612e-10 1.695051e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5175787 -5.2652828 -8.137907 ] [ -12.171984 -36.421636 11.5882953 ] [ 11.5521089 5.3424938 -7.7895449 ] [ 2.1374537 36.3444251 4.3391565 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.431429113364057e-09 -8.435913004060362e-09 -1.303836433764467e-08 ] [ -1.950166819355167e-08 -5.835389369048763e-08 1.856649580458652e-08 ] [ 1.850851880051561e-08 8.559618663128951e-09 -1.248022672545188e-08 ] [ 3.424578346182457e-09 5.82301881916367e-08 6.952095098292355e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 7.3692815 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.180689053139396e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8004262 -0.2395372 -0.1882231 ] [ 0.8906307 0.56934 2.0181162 ] [ 3.2781164 3.1649578 0.4981339 ] [ 1.4938633 2.8422139 1.9956772 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.004262e-11 -2.395372e-11 -1.882231e-11 ] [ 8.906307e-11 5.6934e-11 2.0181162e-10 ] [ 3.2781164e-10 3.1649578e-10 4.981339000000001e-11 ] [ 1.4938633e-10 2.8422139e-10 1.9956772e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.4e-06 -1.21e-05 3.5e-06 ] [ 5.6e-06 2.4e-06 -2e-05 ] [ -9.8e-06 -7e-06 7.1e-06 ] [ 7.6e-06 1.67e-05 9.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.44740051072e-15 -1.938633711168e-14 5.6076181728e-15 ] [ 8.972189076479999e-15 3.84522388992e-15 -3.2043532416e-14 ] [ -1.570133088384e-14 -1.12152363456e-14 1.137545400768e-14 ] [ 1.217654231808e-14 2.675634956736e-14 1.506046023552e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.5046 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.042151804765568e-18 } }