{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.40034e-10 0.0 0.0 ] "source-value" [ 5.40034 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.804290000000001e-13 5.477140000000001e-10 0.0 ] "source-value" [ -0.00680429 5.47714 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.50519e-12 4.28382e-14 5.30288e-10 ] "source-value" [ 0.0750519 0.000428382 5.30288 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.388379609037855e-09 -1.260038981179421e-08 -5.192705377229342e-09 ] [ 3.977540287019416e-09 9.969201477566473e-09 4.180226524351638e-09 ] [ 1.205259473034167e-08 4.067674257611086e-09 -6.655458345440056e-09 ] [ -1.302543893797402e-08 4.14988161958901e-09 3.057699927227017e-09 ] [ -5.687683584853577e-09 5.899372773053397e-09 2.119538517558108e-09 ] [ -6.303173672670498e-09 -1.753901304830801e-09 8.376653297386832e-09 ] [ 2.499746885780941e-09 -8.518504728209616e-09 2.953569021240714e-09 ] [ 7.874793901393923e-09 -1.213334282985337e-09 -8.839523565094911e-09 ] ] "source-value" [ [ -0.8665584 -7.8645448 -3.2410318 ] [ 2.4825854 6.2222862 2.6090922 ] [ 7.522638 2.5388426 -4.1540104 ] [ -8.1298396 2.5901524 1.9084662 ] [ -3.5499729 3.6820989 1.3229119 ] [ -3.9341316 -1.0946991 5.2282958 ] [ 1.5602193 -5.3168325 1.8434728 ] [ 4.9150598 -0.7573037 -5.5171967 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.899207969585281e-18 "source-value" -18.095433 } }