{ "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" [ [ -16.6070225 -12.4557045 1.6036682 ] [ -40.5960028 3.3576679 -10.0651634 ] [ 17.0950323 -18.0770798 -15.2784147 ] [ 10.7085018 -7.613739 14.4928549 ] [ 17.4740847 14.7833192 -36.3280835 ] [ 11.9254065 20.0055363 45.5751385 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.660738319059957e-08 -1.995623854549335e-08 2.569359697560419e-09 ] [ -6.504196658409135e-08 5.379577009790633e-09 -1.612616948401184e-08 ] [ 2.738926108288085e-08 -2.896267462789594e-08 -2.447871883522705e-08 ] [ 1.715691122775472e-08 -1.219855462267317e-08 2.322011328942672e-08 ] [ 2.799656997621898e-08 2.368548840006376e-08 -5.820400606217024e-08 ] [ 1.910660748783635e-08 3.205240254642574e-08 7.301942139442198e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 20.978827 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.36117861512078e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6768598 0.1058843 1.4726998 ] [ 0.2568759 2.4436643 1.1400972 ] [ 3.0101333 0.3665292 0.3584378 ] [ 2.7527907 0.6854088 2.9247134 ] [ 2.5901493 2.7043091 0.0258348 ] [ 2.3328067 3.0231887 2.5921107 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.768598000000001e-11 1.058843e-11 1.4726998e-10 ] [ 2.568759e-11 2.4436643e-10 1.1400972e-10 ] [ 3.0101333e-10 3.665292e-11 3.584378e-11 ] [ 2.7527907e-10 6.854088000000001e-11 2.9247134e-10 ] [ 2.5901493e-10 2.7043091e-10 2.58348e-12 ] [ 2.3328067e-10 3.0231887e-10 2.5921107e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8e-07 4e-07 -1e-07 ] [ 5e-07 -5e-07 -0.0 ] [ 3e-07 3e-07 -1e-06 ] [ 2e-07 7e-07 8e-07 ] [ -2e-07 -4e-07 6e-07 ] [ -0.0 -5e-07 -3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.28174129664e-15 6.408706483200001e-16 -1.6021766208e-16 ] [ 8.010883104e-16 -8.010883104e-16 0.0 ] [ 4.8065298624e-16 4.8065298624e-16 -1.6021766208e-15 ] [ 3.2043532416e-16 1.12152363456e-15 1.28174129664e-15 ] [ -3.2043532416e-16 -6.408706483200001e-16 9.6130597248e-16 ] [ 0.0 -8.010883104e-16 -4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -14.187542 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.273094809901807e-18 } }