{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9672595 0.8127796 0.3836962999999999 ] [ -1.3474859 0.8769463 -2.6955360999999995 ] [ -1.4050573 0.4578926 -0.30137859999999994 ] [ 1.6777572 -0.1509344 0.21954929999999995 ] [ -0.0204622 -3.0236281 0.7651156999999997 ] [ 1.3177752 1.19723 2.4747093999999996 ] [ -3.2883925 -3.9309875 -4.5707379999999995 ] [ 5.033125 3.7607014 3.724581999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.151897203914522e-09 1.302216483711866e-09 6.14749246412254e-10 ] [ -2.15891042362446e-09 1.405022871132754e-09 -4.318724955523487e-09 ] [ -2.251149975491128e-09 7.336248246015083e-10 -4.828617509076323e-10 ] [ 2.688063383365265e-09 -2.418235689468096e-10 3.517567584710561e-10 ] [ -3.27840587202348e-11 -4.844386291725814e-09 1.225850496846553e-09 ] [ 2.111308634304677e-09 1.91817393152382e-09 3.964921576620159e-09 ] [ -5.268585626920844e-09 -6.298136321046075e-09 -7.32312962373589e-09 ] [ 8.063955271001249e-09 6.025307910531087e-09 5.967438251816985e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.531327 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.692746189441331e-18 } }