{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.797173 1.880519 2.621604 ] [ 2.732492 2.231734 4.550403 ] [ 1.229923 3.945183 3.396256 ] [ 3.798537 2.960677 2.455754 ] [ 3.373455 4.934702 3.584472 ] [ 4.913806 3.358248 4.34106 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.797173e-10 1.880519e-10 2.621604e-10 ] [ 2.732492e-10 2.231734e-10 4.550403000000001e-10 ] [ 1.229923e-10 3.945183e-10 3.396256e-10 ] [ 3.798537e-10 2.960677e-10 2.455754e-10 ] [ 3.373455e-10 4.934702e-10 3.584472e-10 ] [ 4.913806e-10 3.358248e-10 4.34106e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8240872 1.3685553 -1.5054919 ] [ 0.3286919 -0.6637893 5.1706069 ] [ 6.4065697 1.3117373 -0.319357 ] [ 1.7722438 -0.4669144 -4.0831231 ] [ -5.7227153 -2.2645382 0.6510159 ] [ -0.9607031 0.7149493 0.0863493 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.922509866140533e-09 2.19266730593193e-09 -2.412063924983771e-09 ] [ 5.266224776263315e-10 -1.063507697597198e-09 8.284225490527163e-09 ] [ 1.026445619286567e-08 2.101634834691316e-09 -5.116663190888256e-10 ] [ 2.839447582717751e-09 -7.480793355948596e-10 -6.541884370668421e-09 ] [ -9.168800661154459e-09 -3.628190160948515e-09 1.043042454749071e-09 ] [ -1.539216046350085e-09 1.145475053517325e-09 1.383468296824455e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -8.6326582 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.383104314339741e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8852469 2.2709007 2.8732547 ] [ 3.2197181 1.6641928 4.5966321 ] [ 1.2298671 4.3765232 3.1028714 ] [ 4.0730201 2.178784 2.3040743 ] [ 3.0451859 5.2892276 3.9833988 ] [ 4.3923479 3.5314347 4.0893176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8852469e-10 2.2709007e-10 2.8732547e-10 ] [ 3.2197181e-10 1.6641928e-10 4.5966321e-10 ] [ 1.2298671e-10 4.3765232e-10 3.102871400000001e-10 ] [ 4.0730201e-10 2.178784e-10 2.3040743e-10 ] [ 3.0451859e-10 5.289227600000001e-10 3.9833988e-10 ] [ 4.3923479e-10 3.5314347e-10 4.0893176e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.18e-05 0.0015705 0.0005959 ] [ 0.0008798 -0.0002857 -0.0013863 ] [ 0.0001615 -0.0010299 -0.0003891 ] [ -0.000475 -0.0004411 0.001241 ] [ 0.0009961 -0.0007619 -4e-07 ] [ -0.0016142 0.000948 -6.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.299274895744e-14 2.5162183829664e-12 9.5473704833472e-13 ] [ 1.40959499097984e-12 -4.5774186056256e-13 -2.22109744941504e-12 ] [ 2.587515242592e-13 -1.65008170176192e-12 -6.2340692315328e-13 ] [ -7.6103389488e-13 -7.0672010743488e-13 1.9883011864128e-12 ] [ 1.59592813197888e-12 -1.22069836738752e-12 -6.408706483200001e-16 ] [ -2.58623350129536e-12 1.5188634365184e-12 -9.789299153088e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.879819 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.903356826113564e-18 } }