{ "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" [ [ 0.7640613 0.2474373 1.904604 ] [ 0.7957024 2.286987 0.9838997 ] [ 2.800961 0.7755534 0.6501687 ] [ 2.57314 0.3921087 2.718963 ] [ 2.488072 2.896141 0.3463324 ] [ 2.197679 2.730757 1.909926 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.640613000000001e-11 2.474373e-11 1.904604e-10 ] [ 7.957024000000001e-11 2.286987e-10 9.838997e-11 ] [ 2.800961e-10 7.755534e-11 6.501687e-11 ] [ 2.57314e-10 3.921087e-11 2.718963e-10 ] [ 2.488072e-10 2.896141e-10 3.463324e-11 ] [ 2.197679e-10 2.730757e-10 1.909926e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.7298768 -5.8503697 0.7021843 ] [ -15.8208368 2.1660374 -4.7127273 ] [ 5.7020426 -5.6817028 -4.560865 ] [ 5.022674 -4.5582556 6.3118013 ] [ 7.6480154 6.5147642 -19.3205006 ] [ 4.1779816 7.4095265 21.5801073 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.078245126982432e-08 -9.37332555637671e-09 1.125023268952814e-09 ] [ -2.534777484245229e-08 3.470374482058418e-09 -7.550621500265908e-09 ] [ 9.135679344525647e-09 -9.103091392493898e-09 -7.307311273624992e-09 ] [ 8.04721085670002e-09 -7.303130553950677e-09 1.011262047799505e-08 ] [ 1.225347146939836e-08 1.043780289126482e-08 -3.095485436347237e-08 ] [ 6.693864441652577e-09 1.187137012949805e-08 3.457514339041542e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.78915199 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.264360868635796e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2708087 0.370043 2.1166422 ] [ 0.0808047 2.0656761 0.4389974 ] [ 3.4882859 0.6692092 0.3481272 ] [ 2.5858179 0.4825501 2.6194841 ] [ 2.3232948 2.8253573 0.3015292 ] [ 2.8706038 2.9161487 2.6891138 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.708087e-11 3.70043e-11 2.1166422e-10 ] [ 8.08047e-12 2.0656761e-10 4.389974e-11 ] [ 3.488285900000001e-10 6.692092e-11 3.481272000000001e-11 ] [ 2.5858179e-10 4.825501e-11 2.6194841e-10 ] [ 2.3232948e-10 2.8253573e-10 3.015292e-11 ] [ 2.8706038e-10 2.9161487e-10 2.6891138e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-06 2.3e-06 -3e-07 ] [ 1.6e-06 -6e-07 6e-07 ] [ -7e-07 1.5e-06 3.1e-06 ] [ -1.7e-06 4e-06 -4e-06 ] [ -1.8e-06 -2.7e-06 2.3e-06 ] [ -4e-07 -4.5e-06 -1.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-15 3.68500622784e-15 -4.8065298624e-16 ] [ 2.56348259328e-15 -9.6130597248e-16 9.6130597248e-16 ] [ -1.12152363456e-15 2.4032649312e-15 4.96674752448e-15 ] [ -2.72370025536e-15 6.4087064832e-15 -6.4087064832e-15 ] [ -2.88391791744e-15 -4.32587687616e-15 3.68500622784e-15 ] [ -6.408706483200001e-16 -7.2097947936e-15 -2.88391791744e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.186062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.753510674001929e-18 } }