{ "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" [ [ -0.0106645 -0.638223 -1.1189013 ] [ 0.1111053 0.3720061 -0.1974581 ] [ 1.5283298 2.9941038 -0.4118805 ] [ -2.5232022 1.6615276 -2.1184532 ] [ -1.590506 0.240135 1.8641122 ] [ -0.971971 -1.078833 1.7777343 ] [ 0.6445106 -2.5683111 -0.2688935 ] [ 2.8123981 -0.9824054 0.4737401 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.70864125725216e-11 -1.022545969456838e-09 -1.792677503842727e-09 ] [ 1.780103141069702e-10 5.960194762149869e-10 -3.163627514075885e-10 ] [ 2.44865427443194e-09 4.79708310860844e-09 -6.599053076634144e-10 ] [ -4.042615574391126e-09 2.662060675533934e-09 -3.394136189298946e-09 ] [ -2.548271528442125e-09 3.84738682835808e-10 2.986636985388054e-09 ] [ -1.557269212295597e-09 -1.728481010347526e-09 2.848244333454253e-09 ] [ 1.032619815177781e-09 -4.114887999361131e-09 -4.308148791850848e-10 ] [ 4.50595848420234e-09 -1.573986964027672e-09 7.590153125554542e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -214.57875 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.43793056570488e-17 } }