{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.4429901 6.9487844 -3.020842 ] [ 0.062194 0.137255 -0.5302388 ] [ 29.8845021 21.7508461 -13.0916707 ] [ -0.5043914 0.8703505 -1.7770393 ] [ -1.4099307 -2.0659769 -1.8509481 ] [ -26.1878246 -23.1984381 11.471232 ] [ -1.6647788 2.8713406 5.0722903 ] [ -6.6227607 -7.3141615 3.7272166 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.032280819131332e-08 1.113318000038371e-08 -4.839922467405827e-09 ] [ 9.964577357499599e-11 2.1990675389967e-10 -8.495362158001992e-10 ] [ 4.788025098334392e-08 3.484869739115002e-08 -2.097516889556242e-08 ] [ -8.081241154705476e-10 1.394455234490217e-09 -2.847130844159716e-09 ] [ -2.258958023099264e-09 -3.310059915563754e-09 -2.965545796566695e-09 ] [ -4.195752066941039e-08 -3.716799546911535e-08 1.837893987359309e-08 ] [ -2.667269694138559e-09 4.60039481757554e-09 8.126704999524848e-09 ] [ -1.061083244611348e-08 -1.171857865260239e-08 5.971659346376924e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.951887 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.754685744960836e-18 } }