{ "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" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.20587559999999996 -0.8345714999999999 1.7724083999999998 ] [ 0.6614778999999998 -1.5390498999999997 -3.1399083999999995 ] [ -0.34424099999999996 0.5433375999999999 3.0041134999999994 ] [ -1.0203878999999998 0.4046084999999999 -0.6302072999999999 ] [ -0.5683978999999999 -3.0593372999999997 -2.5008733999999997 ] [ 2.3351849999999996 2.9461556999999994 1.6779334999999997 ] [ 0.015913099999999996 -1.3815190999999998 0.6892863999999999 ] [ -0.8736733999999999 2.9203758999999994 -0.8727524999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.298490731131725e-10 -1.337130945685987e-09 2.839711300989534e-09 ] [ 1.05980442655588e-09 -2.465829768024578e-09 -5.030687829933534e-09 ] [ -5.515348821208127e-10 8.705227999215818e-10 4.81312041592966e-09 ] [ -1.634841637527208e-09 6.482542792769567e-10 -1.009703402317492e-09 ] [ -9.106738266918162e-10 -4.901598697201395e-09 -4.006840893060606e-09 ] [ 3.741378812242847e-09 4.720261783776657e-09 2.688345824957116e-09 ] [ 2.549559678445248e-11 -2.213437603208657e-09 1.104358555115397e-09 ] [ -1.399779095694847e-09 4.678957990927758e-09 -1.398303651244752e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.803446 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.736344412527528e-18 } }