{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0009708 -0.5572476 -6.0172354 ] [ -5.6425128 -2.9076179 8.9940155 ] [ -2.4837712 4.2448283 -5.6188022 ] [ 0.9521686 -6.6329196 -5.6719965 ] [ 5.7210757 2.3804781 -6.8948509 ] [ 1.2218089 -1.1452864 3.5333054 ] [ 3.2322016 4.6177651 11.6755641 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.808085295076287e-09 -8.928090840725782e-10 -9.640673959157643e-09 ] [ -9.040302165205914e-09 -4.658517459980148e-09 1.441000147993382e-08 ] [ -3.979440180842141e-09 6.800964717601942e-09 -9.002313595907794e-09 ] [ 1.525542282548492e-09 -1.062710879832062e-08 -9.08754026042978e-09 ] [ 9.166173807885193e-09 3.813946389568715e-09 -1.104676900689387e-08 ] [ 1.957553670793242e-09 -1.834951109317977e-09 5.660979352666023e-09 ] [ 5.178557879897413e-09 7.398475344520673e-09 1.870631598978924e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.250675 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.642339196772795e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5524574 1.9268863 1.9031924 ] [ 1.6153931 1.0759815 4.2744215 ] [ 2.9233185 3.9582735 2.1397316 ] [ 3.3654253 0.2118523 1.5531605 ] [ 5.2253903 2.9680111 1.8740949 ] [ 4.2287397 1.3926839 3.7939204 ] [ 3.4753606 3.8321277 4.5953508 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5524574e-10 1.9268863e-10 1.9031924e-10 ] [ 1.6153931e-10 1.0759815e-10 4.2744215e-10 ] [ 2.9233185e-10 3.9582735e-10 2.1397316e-10 ] [ 3.3654253e-10 2.118523e-11 1.5531605e-10 ] [ 5.225390300000001e-10 2.9680111e-10 1.8740949e-10 ] [ 4.2287397e-10 1.3926839e-10 3.7939204e-10 ] [ 3.4753606e-10 3.8321277e-10 4.595350800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.03e-05 2.37e-05 4.8e-06 ] [ 1e-05 -6.3e-06 -6.5e-06 ] [ -1.46e-05 -8.9e-06 -1.5e-06 ] [ -4.8e-06 -9.6e-06 2.2e-06 ] [ 1.05e-05 -5.1e-06 -7e-06 ] [ -3.5e-06 6.2e-06 3.5e-06 ] [ -7.8e-06 -0.0 4.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.65024193302e-14 3.79715862258e-14 7.690447843199998e-15 ] [ 1.602176634e-14 -1.00937127942e-14 -1.0414148121e-14 ] [ -2.33917788564e-14 -1.42593720426e-14 -2.403264951e-15 ] [ -7.690447843199998e-15 -1.53808956864e-14 3.5247885948e-15 ] [ 1.6822854657e-14 -8.1711008334e-15 -1.1215236438e-14 ] [ -5.607618218999999e-15 9.9334951308e-15 5.607618218999999e-15 ] [ -1.24969777452e-14 0.0 7.209794853e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.834016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.177759699358214e-18 } }