{ "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" [ [ 0.4467477 0.434499 0.6495355 ] [ 1.045521 0.0858534 2.314559 ] [ 1.192787 2.478944 2.855919 ] [ 2.996113 0.2043739 2.091587 ] [ 2.935004 2.164039 0.1200611 ] [ 2.862412 2.380014 2.301415 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.467477000000001e-11 4.34499e-11 6.495355000000001e-11 ] [ 1.045521e-10 8.58534e-12 2.314559e-10 ] [ 1.192787e-10 2.478944e-10 2.855919e-10 ] [ 2.996113e-10 2.043739e-11 2.091587e-10 ] [ 2.935004e-10 2.164039e-10 1.200611e-11 ] [ 2.862412e-10 2.380014e-10 2.301415e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.724209 3.3517466 -14.3739134 ] [ -3.6558084 -3.4824761 15.5608791 ] [ -15.2307611 1.3161889 5.1993724 ] [ 9.4280435 -3.3157039 -1.5070934 ] [ -0.0497588 -0.2722219 -1.7508563 ] [ 14.2324938 2.4024665 -3.1283883 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.569017211572949e-09 5.370090041365889e-09 -2.302954799888384e-08 ] [ -5.857250748604255e-09 -5.579541789914763e-09 2.493127669311535e-08 ] [ -2.440236935141009e-08 2.108767084136469e-09 8.330312902112786e-09 ] [ 1.510539087558541e-08 -5.312343270075381e-09 -2.414629810841983e-09 ] [ -7.972238603906304e-11 -4.361475638497556e-10 -2.805181030240391e-09 ] [ 2.280296882204095e-08 3.849175658555203e-09 -5.012230595044257e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 2.877127720918061 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.609666769510505e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4653469 1.2096305 0.6458881 ] [ 1.0315745 -0.0764103 2.5053817 ] [ 0.7377649 2.225161 2.725956 ] [ 3.3680132 0.2673527 2.031816 ] [ 2.8017816 1.5530333 0.1720699 ] [ 3.0741036 2.5689562 2.2519649 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.653469e-11 1.2096305e-10 6.458881e-11 ] [ 1.0315745e-10 -7.64103e-12 2.5053817e-10 ] [ 7.377648999999999e-11 2.225161e-10 2.725956e-10 ] [ 3.3680132e-10 2.673527e-11 2.031816e-10 ] [ 2.8017816e-10 1.5530333e-10 1.720699e-11 ] [ 3.0741036e-10 2.5689562e-10 2.2519649e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.7e-06 -8.64e-05 -1.62e-05 ] [ 4.05e-05 2.64e-05 1.04e-05 ] [ -4.13e-05 6e-05 3.7e-06 ] [ -6.3e-05 2.67e-05 -8e-05 ] [ 9.9e-06 2.37e-05 5.77e-05 ] [ 4.72e-05 -5.03e-05 2.44e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.073458335936e-14 -1.3842806003712e-13 -2.595526125696e-14 ] [ 6.488815314240001e-14 4.229746278912e-14 1.666263685632e-14 ] [ -6.616989443904001e-14 9.6130597248e-14 5.928053496960001e-15 ] [ -1.009371271104e-13 4.277811577536e-14 -1.28174129664e-13 ] [ 1.586154854592e-14 3.797158591296e-14 9.244559102016e-14 ] [ 7.562273650176e-14 -8.058948402624e-14 3.909310954752e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.635338279081939 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.063098386184439e-18 } }