{ "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" [ 5.36838 0 0 ] "si-unit" "m" "si-value" [ 5.368380000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0320632 5.46183 0 ] "si-unit" "m" "si-value" [ -3.20632e-12 5.46183e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0835799 0.195471 5.46165 ] "si-unit" "m" "si-value" [ -8.35799e-12 1.95471e-11 5.461649999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0445787 0.0905296 0.00673122 ] [ 1.23056 1.45848 1.40837 ] [ -0.162897 2.78891 2.76222 ] [ 1.2265 4.23635 3.86532 ] [ 2.68005 0.105406 2.5782 ] [ 3.88338 1.64051 4.20954 ] [ 2.69942 2.77008 0.000613011 ] [ 4.15957 4.14184 1.16379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.45787e-12 9.05296e-12 6.731220000000001e-13 ] [ 1.23056e-10 1.45848e-10 1.40837e-10 ] [ -1.62897e-11 2.78891e-10 2.76222e-10 ] [ 1.2265e-10 4.23635e-10 3.86532e-10 ] [ 2.68005e-10 1.05406e-11 2.5782e-10 ] [ 3.88338e-10 1.64051e-10 4.20954e-10 ] [ 2.69942e-10 2.77008e-10 6.13011e-14 ] [ 4.159570000000001e-10 4.14184e-10 1.16379e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.9756934000000004 -0.9365376000000002 -2.6490570000000004 ] [ 0.5141436000000001 0.3829492000000001 -0.8279943000000002 ] [ 1.0012182000000003 0.4551057000000001 -0.8965671000000002 ] [ -0.3953069000000001 1.1964672000000003 3.707785200000001 ] [ 2.3478038000000003 0.21650160000000004 0.7968707000000003 ] [ -1.2734453000000001 -2.7511308000000003 -2.2529748000000005 ] [ -2.0750946000000003 0.9931955000000002 -0.4845123000000001 ] [ -3.095012300000001 0.4434493000000001 2.6064495000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.767586396148864e-09 -1.500498647220142e-09 -4.244257192566587e-09 ] [ 8.237488556539471e-10 6.135522551940635e-10 -1.326593109615662e-09 ] [ 1.604128392359459e-09 7.291597125328188e-10 -1.436458846598456e-09 ] [ -6.333514732209238e-10 1.916951775394038e-09 5.940526762388254e-09 ] [ 3.7615963585854e-09 3.468738018857934e-10 1.276727605340531e-09 ] [ -2.040284287527643e-09 -4.407797448522801e-09 -3.609663551811557e-09 ] [ -3.324668054068328e-09 1.591274609983767e-09 -7.762742795500361e-10 ] [ -4.958756348148437e-09 7.104841009701256e-10 4.175992452195851e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.538927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.693963796771788e-18 } }