{ "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" [ [ 0.7655839 2.475119 1.769415 ] [ 1.428497 2.830976 4.007072 ] [ 0.7084804 4.393179 2.503204 ] [ 3.286235 1.82381 2.638008 ] [ 3.156295 4.152222 2.34568 ] [ 4.226983 3.319682 4.150219 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.655839e-11 2.475119e-10 1.769415e-10 ] [ 1.428497e-10 2.830976e-10 4.007072e-10 ] [ 7.084804e-11 4.393179e-10 2.503204e-10 ] [ 3.286235e-10 1.82381e-10 2.638008e-10 ] [ 3.156295e-10 4.152222e-10 2.34568e-10 ] [ 4.226983e-10 3.319682e-10 4.150219e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4358987 -7.2716796 -6.2424573 ] [ -7.0898305 -4.6223502 12.3782577 ] [ -4.326675 10.5251074 0.6010692 ] [ 4.6963053 -7.9611616 -2.2956484 ] [ 6.2871814 8.8502888 -7.9211658 ] [ 2.8689174 0.4797951 3.4799445 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.902739947777113e-09 -1.16505150490683e-08 -1.000151914240229e-08 ] [ -1.135916067253477e-08 -7.405821423590204e-09 1.983215509317758e-08 ] [ -6.932097530799839e-09 1.686308100768907e-08 9.630190197229595e-10 ] [ 7.524310555799129e-09 -1.275518698993072e-08 -3.678034196056927e-09 ] [ 1.007317504980861e-08 1.417972580268809e-08 -1.269110665424053e-08 ] [ 4.596512385286322e-09 7.687164919943981e-10 5.575485719581546e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.6683886 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.070876588529243e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.6862917 2.7139601 1.2620269 ] [ 0.6748721 2.3359503 3.8149519 ] [ 0.007266 4.1654195 2.7744678 ] [ 3.7724187 1.8983902 3.3005912 ] [ 4.8957909 4.3026205 2.0878291 ] [ 4.9080183 3.5786474 4.173731 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.862917e-11 2.7139601e-10 1.2620269e-10 ] [ 6.748721e-11 2.3359503e-10 3.8149519e-10 ] [ 7.266000000000001e-13 4.1654195e-10 2.7744678e-10 ] [ 3.7724187e-10 1.8983902e-10 3.3005912e-10 ] [ 4.8957909e-10 4.3026205e-10 2.0878291e-10 ] [ 4.9080183e-10 3.5786474e-10 4.173731e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.53e-05 -6.31e-05 -2.2e-05 ] [ -8.27e-05 -5.74e-05 -3.48e-05 ] [ -9e-06 9.27e-05 5.29e-05 ] [ -1.7e-06 -1.69e-05 -4.21e-05 ] [ 4.21e-05 -3.39e-05 -5.3e-06 ] [ 8.67e-05 7.86e-05 5.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.655683471424e-14 -1.0109734477248e-13 -3.52478856576e-14 ] [ -1.3250000654016e-13 -9.196493803392e-14 -5.575574640383999e-14 ] [ -1.44195895872e-14 1.4852177274816e-13 8.475514324032001e-14 ] [ -2.72370025536e-15 -2.707678489152e-14 -6.745163573568001e-14 ] [ 6.745163573568001e-14 -5.431378744512e-14 -8.491536090240001e-15 ] [ 1.3890871302336e-13 1.2593108239488e-13 8.203144298496001e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.702319 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.676006501494363e-18 } }