{ "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" [ 5.55975 0 0 ] "si-unit" "m" "si-value" [ 5.55975e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00335003 5.48819 0 ] "si-unit" "m" "si-value" [ 3.35003e-13 5.488190000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0164792 -0.0422926 5.51812 ] "si-unit" "m" "si-value" [ 1.64792e-12 -4.22926e-12 5.51812e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0695878 -0.00317054 -0.0200442 ] [ 1.39636 1.32374 1.28539 ] [ -0.0674176 2.58156 2.68412 ] [ 1.50658 3.99879 4.14654 ] [ 2.80481 -0.0668971 2.57568 ] [ 4.18687 1.32364 3.96453 ] [ 2.74594 2.77319 -0.0797703 ] [ 4.04367 4.06467 1.27465 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.958780000000001e-12 -3.17054e-13 -2.00442e-12 ] [ 1.39636e-10 1.32374e-10 1.28539e-10 ] [ -6.74176e-12 2.58156e-10 2.68412e-10 ] [ 1.50658e-10 3.99879e-10 4.14654e-10 ] [ 2.80481e-10 -6.689710000000001e-12 2.57568e-10 ] [ 4.18687e-10 1.32364e-10 3.96453e-10 ] [ 2.74594e-10 2.77319e-10 -7.97703e-12 ] [ 4.04367e-10 4.06467e-10 1.27465e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.284023 -0.6994474 -1.1608263 ] [ -0.1112372 0.3912904 -0.0602596 ] [ 2.4976899 3.3363769 -1.8811134 ] [ -3.6676666 2.8312629 -3.3490788 ] [ -1.5400976 0.9229775 2.5574494 ] [ -2.3330329 -2.0612355 2.9235322 ] [ 1.7079967 -3.8457749 1.0645867 ] [ 3.1623247 -0.8754498 -0.0942903 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.550550103694784e-10 -1.120638271759346e-09 -1.859848758669767e-09 ] [ -1.782216412032538e-10 6.269163308234803e-10 -9.65465222987597e-11 ] [ 4.00174036378829e-09 5.345465067357179e-09 -3.013875910553599e-09 ] [ -5.876249679409025e-09 4.536183225718409e-09 -5.365815754576919e-09 ] [ -2.46750836847019e-09 1.478772972024432e-09 4.097485637558987e-09 ] [ -3.737930767937224e-09 -3.302463328062999e-09 4.68401494099599e-09 ] [ 2.736512381143551e-09 -6.161610633639458e-09 1.705655921554623e-09 ] [ 5.066602701718374e-09 -1.402625202244036e-09 -1.510697142282182e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.632347 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.708931330763302e-18 } }