{ "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" [ [ 4.4913202 9.1851994 -5.7277776 ] [ 4.173401 -3.9586801 3.0960409 ] [ 46.2461483 27.0234066 -17.7407176 ] [ -5.0141684 -4.3979082 -5.3586484 ] [ -4.7682891 1.1269843 -7.3499937 ] [ -24.3664994 -28.6298531 13.8799458 ] [ -13.5118605 6.1914659 14.1412391 ] [ -7.2500521 -6.5406149 5.0599115 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.195888280252206e-09 1.471631185731082e-08 -9.176911435468596e-09 ] [ 6.686525566512234e-09 -6.342504757700783e-09 4.960404387888331e-09 ] [ 7.409449821875883e-08 4.329627062560138e-08 -2.842376320911256e-08 ] [ -8.033583449421165e-09 -7.046225756516998e-09 -8.585501256301484e-09 ] [ -7.639641380176887e-09 1.805627912344846e-09 -1.17759881661872e-08 ] [ -3.903943599105501e-08 -4.587008167167246e-08 2.223812484194643e-08 ] [ -2.164838717496755e-08 9.919821995187779e-09 2.265676286182719e-08 ] [ -1.161586406990263e-08 -1.047922036477225e-08 8.10687197540789e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.717813 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.877400619018144e-18 } }