{ "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" [ 5.5612 0 0 ] "si-unit" "m" "si-value" [ 5.5612e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0917257 5.43287 0 ] "si-unit" "m" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0143429 0.0662566 5.45634 ] "si-unit" "m" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6448958999999999 -0.11864269999999999 0.36444499999999996 ] [ 0.9775306999999999 0.9475391999999999 -1.9927134999999998 ] [ -2.2834039999999995 0.33935839999999995 -1.1269566999999998 ] [ 0.39103469999999996 1.5772330999999997 -0.007548099999999999 ] [ 0.19229869999999996 0.21914599999999998 1.3754173999999997 ] [ -0.5335949999999999 -0.17050909999999997 -0.15598029999999996 ] [ 0.7332819999999999 -1.7008589999999997 1.8533625999999999 ] [ 1.1677487999999998 -1.0932659999999998 -0.3100263999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.033237133829775e-09 -1.900865601685881e-10 5.83905258567456e-10 ] [ 1.566176833654258e-09 1.518125153531535e-09 -3.192678981652541e-09 ] [ -3.658416504641203e-09 5.437120945520947e-10 -1.805583677393919e-09 ] [ 6.265066542615418e-10 2.527005998371908e-09 -1.209338935146048e-11 ] [ 3.080964813502329e-10 3.511105977418368e-10 2.203661602121522e-09 ] [ -8.549134339757759e-10 -2.731856936536492e-10 -2.499079899653702e-10 ] [ 1.174847276853466e-09 -2.725076525077267e-09 2.969414227585102e-09 ] [ 1.870939826327255e-09 -1.751605225515533e-09 -4.96717049910789e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.22281403877592 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.75939899973128e-18 } }