{ "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" [ 5.40034 0 0 ] "si-unit" "m" "si-value" [ 5.40034e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00680429 5.47714 0 ] "si-unit" "m" "si-value" [ -6.804290000000001e-13 5.477140000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0750519 0.000428382 5.30288 ] "si-unit" "m" "si-value" [ 7.50519e-12 4.28382e-14 5.30288e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0542923 -0.0551564 0.0107349 ] [ 1.38568 1.34449 1.49834 ] [ -0.0627007 2.68919 2.77312 ] [ 1.41517 4.13638 3.9375 ] [ 2.74489 -0.0643812 2.6522 ] [ 4.02561 1.44985 4.00224 ] [ 2.7219 2.73875 0.136559 ] [ 4.01026 4.10579 1.40939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.429230000000001e-12 -5.51564e-12 1.07349e-12 ] [ 1.38568e-10 1.34449e-10 1.49834e-10 ] [ -6.27007e-12 2.68919e-10 2.77312e-10 ] [ 1.41517e-10 4.13638e-10 3.9375e-10 ] [ 2.74489e-10 -6.43812e-12 2.6522e-10 ] [ 4.025610000000001e-10 1.44985e-10 4.00224e-10 ] [ 2.7219e-10 2.73875e-10 1.36559e-11 ] [ 4.01026e-10 4.10579e-10 1.40939e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4748487 1.3815068 0.3126946 ] [ -1.1681439 -0.0646176 -1.8608562 ] [ 1.9004738 1.8958313 -1.6755729 ] [ -0.9340275 -1.6176627 1.9731825 ] [ -0.1662918 2.0706274 1.3620968 ] [ -0.2175931 -2.9075909 1.4843184 ] [ -1.6388582 0.275209 -0.8493512 ] [ 1.749592 -1.0333033 -0.746512 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.607914855572729e-10 2.213417896436222e-09 5.009919775704077e-10 ] [ -1.871572846310133e-09 -1.035288080122061e-10 -2.981420298310729e-09 ] [ 3.044894690802935e-09 3.037456585840871e-09 -2.684563726826056e-09 ] [ -1.496477023684272e-09 -2.591781358280204e-09 3.161386870071696e-09 ] [ -2.664288341907494e-10 3.317510810667889e-09 2.182319648226494e-09 ] [ -3.486225776673965e-10 -4.658474162830831e-09 2.378140238303263e-09 ] [ -2.625740292846371e-09 4.409334256337472e-10 -1.360810635488425e-09 ] [ 2.803155398338714e-09 -1.655534389455489e-09 -1.19604407354665e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.995819 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.927383626914844e-18 } }