{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1072047 0.0285855 0.1664065 ] [ -0.0986566 0.1498567 -0.2751112 ] [ -0.1361927 -0.0703047 -0.0911508 ] [ 0.1263254 -0.1916808 0.0494279 ] [ 0.2114693 -0.0876382 0.0047407 ] [ -0.2223082 0.1520715 0.0395025 ] [ -0.1928755 -0.1723295 -0.0798683 ] [ 0.2050338 0.1914394 0.1860526 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.717608639798778e-10 4.57990197938784e-11 2.666126038491552e-10 ] [ -1.580652980076173e-10 2.400969012102394e-10 -4.40776732760233e-10 ] [ -2.182047598636281e-10 -1.126405466723578e-10 -1.460396807272167e-10 ] [ 2.023956024932083e-10 -3.071064964162407e-10 7.919222579524031e-11 ] [ 3.388111684769415e-10 -1.404118751289946e-10 7.59543870622656e-12 ] [ -3.561770006521306e-10 2.436454019899872e-10 6.328998196315201e-11 ] [ -3.090206168251104e-10 -2.761022959741536e-10 -1.279631230030407e-10 ] [ 3.28500360833783e-10 3.067197309799795e-10 2.980891259590541e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 31.180979 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.995743556745577e-18 } }