{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46438e-10 0.0 0.0 ] "source-value" [ 5.46438 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.72754e-12 5.432030000000001e-10 0.0 ] "source-value" [ 0.0372754 5.43203 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.7857e-11 -2.23871e-12 5.503459999999999e-10 ] "source-value" [ 0.17857 -0.0223871 5.50346 ] } "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" [ [ -3.882700403257133e-10 -1.503085329330891e-08 -4.325546827776115e-10 ] [ 2.416313057599795e-09 1.722274017900885e-08 7.61564535776809e-10 ] [ 2.535991805949666e-09 -8.688994905911538e-09 -1.789513685669633e-09 ] [ 3.494132358079951e-09 2.150375610978646e-09 3.835635023062174e-09 ] [ 8.185889977813619e-09 -6.960527353847626e-09 4.362656602884747e-09 ] [ -4.535813283136666e-09 2.641770710808123e-09 -6.431678331371368e-09 ] [ -4.013668408512484e-09 4.113911953363739e-09 2.848390772397394e-09 ] [ -7.694575467468167e-09 4.551577098908716e-09 -3.154500234302511e-09 ] ] "source-value" [ [ -0.2423391 -9.3815208 -0.2699794 ] [ 1.508144 10.749589 0.4753312 ] [ 1.5828416 -5.4232441 -1.1169266 ] [ 2.1808659 1.3421589 2.3940151 ] [ 5.1092307 -4.3444195 2.7229561 ] [ -2.831032 1.6488636 -4.0143379 ] [ -2.5051348 2.5677019 1.7778257 ] [ -4.8025763 2.840871 -1.9688842 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 7.26127e-13 1.0583e-12 3.36114e-13 ] [ 1.28417e-10 1.2786e-10 1.26313e-10 ] [ 7.944210000000001e-12 2.71348e-10 2.73185e-10 ] [ 1.57701e-10 4.05847e-10 4.12903e-10 ] [ 2.78941e-10 -1.59624e-11 2.68623e-10 ] [ 4.22148e-10 1.3448e-10 3.91745e-10 ] [ 2.73822e-10 2.68922e-10 9.39316e-13 ] [ 4.14349e-10 4.04668e-10 1.21083e-10 ] ] "source-value" [ [ 0.00726127 0.010583 0.00336114 ] [ 1.28417 1.2786 1.26313 ] [ 0.0794421 2.71348 2.73185 ] [ 1.57701 4.05847 4.12903 ] [ 2.78941 -0.159624 2.68623 ] [ 4.22148 1.3448 3.91745 ] [ 2.73822 2.68922 0.00939316 ] [ 4.14349 4.04668 1.21083 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.568282394000593e-18 "source-value" -16.029958 } }