{ "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" [ [ 0.0647644 0.143829 0.6473224 ] [ 1.313892 1.683397 0.0769283 ] [ 0.1194939 2.399252 1.546304 ] [ 2.728192 0.2406182 0.1106797 ] [ 2.458193 2.956348 2.547264 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.47644e-12 1.43829e-11 6.473223999999999e-11 ] [ 1.313892e-10 1.683397e-10 7.69283e-12 ] [ 1.194939e-11 2.399252e-10 1.546304e-10 ] [ 2.728192e-10 2.406182e-11 1.106797e-11 ] [ 2.458193e-10 2.956348e-10 2.547264000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9137398 -7.440984 1.7724609 ] [ 4.1468606 8.9205103 -9.2269243 ] [ -3.3327342 4.5919999 7.4964449 ] [ 5.5806543 -6.0002778 0.1692173 ] [ -1.481041 -0.0712484 -0.2111988 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.872679028254469e-09 -1.192177060054687e-08 2.839795415262127e-09 ] [ 6.64400310303666e-09 1.429223304826559e-08 -1.478316239535141e-08 ] [ -5.339628818580592e-09 7.357194882495939e-09 1.20106287578954e-08 ] [ 8.94119384822699e-09 -9.61350480946526e-09 2.711160018948999e-10 ] [ -2.372889264646253e-09 -1.141525207494067e-10 -3.38377779701015e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -4.5332959 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.263140706148495e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.5215235 0.398978 1.0753308 ] [ 1.3710333 1.1259101 -0.3880186 ] [ 0.6037809 2.5938558 1.4849644 ] [ 3.4206007 0.1122275 -0.5869626 ] [ 1.810644 3.1924728 3.3431844 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.215235e-11 3.98978e-11 1.0753308e-10 ] [ 1.3710333e-10 1.1259101e-10 -3.880186e-11 ] [ 6.037809e-11 2.5938558e-10 1.4849644e-10 ] [ 3.4206007e-10 1.122275e-11 -5.869626e-11 ] [ 1.810644e-10 3.1924728e-10 3.3431844e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.3e-06 1.4e-06 4.6e-06 ] [ 2.37e-05 -1.07e-05 -5.9e-06 ] [ -1.57e-05 -2e-07 -1.52e-05 ] [ -2.3e-05 1.61e-05 1.13e-05 ] [ 1.37e-05 -6.6e-06 5.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.08282960704e-15 2.24304726912e-15 7.370012455680001e-15 ] [ 3.797158591296e-14 -1.714328984256e-14 -9.45284206272e-15 ] [ -2.515417294656e-14 -3.2043532416e-16 -2.435308463616e-14 ] [ -3.68500622784e-14 2.579504359488e-14 1.810459581504e-14 ] [ 2.194981970496e-14 -1.057436569728e-14 8.33131842816e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.140566 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.624697776687937e-18 } }