{ "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" [ [ -0.2485164 0.3186212 -1.4889079 ] [ 0.1547239 -1.1912972 1.8563334 ] [ 1.0241804 0.109842 0.3035064 ] [ -0.6436186 0.0460008 -0.6016783 ] [ -1.2409033 0.5935243 -0.6881177 ] [ 0.4816863 -0.9809339 0.9592062 ] [ 1.7651226 1.8553907 0.7646142 ] [ -1.2926749 -0.7511479 -1.1049562 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.981671692457975e-10 5.104874417370408e-10 -2.385493447558008e-09 ] [ 2.478950173013526e-10 -1.908668537989625e-09 2.974173998393775e-09 ] [ 1.640917905880773e-09 1.75986285831828e-10 4.862708623494576e-10 ] [ -1.031190682127792e-09 7.370140690530719e-11 -9.639949134448421e-10 ] [ -1.988146272313492e-09 9.50930765171206e-10 -1.102486100381822e-09 ] [ 7.717465347779142e-10 -1.571629374078492e-09 1.536817760827931e-09 ] [ 2.828038185865328e-09 2.972663626480904e-09 1.225047005264603e-09 ] [ -2.071093520138286e-09 -1.203471614058168e-09 -1.77033500523343e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.8303906015624776 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.330432418916605e-19 } }