{ "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" [ 5.3952 0 0 ] "si-unit" "m" "si-value" [ 5.3952e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00461172 5.6034 0 ] "si-unit" "m" "si-value" [ 4.61172e-13 5.6034e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.071329 0.0469434 5.27588 ] "si-unit" "m" "si-value" [ 7.132900000000001e-12 4.694340000000001e-12 5.27588e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0148313 -0.0405976 0.0741579 ] [ 1.40662 1.33729 1.44565 ] [ 0.021393 2.68696 2.73819 ] [ 1.3197 4.02815 4.06112 ] [ 2.69728 0.0386556 2.72588 ] [ 4.00631 1.34667 3.9586 ] [ 2.7243 2.85873 -0.0805011 ] [ 4.14392 4.06243 1.15826 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.48313e-12 -4.05976e-12 7.41579e-12 ] [ 1.40662e-10 1.33729e-10 1.44565e-10 ] [ 2.1393e-12 2.68696e-10 2.73819e-10 ] [ 1.3197e-10 4.02815e-10 4.06112e-10 ] [ 2.69728e-10 3.86556e-12 2.72588e-10 ] [ 4.00631e-10 1.34667e-10 3.9586e-10 ] [ 2.7243e-10 2.85873e-10 -8.050110000000001e-12 ] [ 4.14392e-10 4.06243e-10 1.15826e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5080369000000001 -0.34572470000000005 0.5486366000000001 ] [ 0.055795100000000014 -0.8074887000000002 1.2381915000000001 ] [ 0.6524295000000001 -0.3857350000000001 1.2305328000000002 ] [ 0.26384870000000005 -2.1099471000000003 0.8059502000000002 ] [ 0.11122160000000003 2.3569982000000005 0.6309644000000001 ] [ -0.8434251000000003 -0.6570874000000001 -0.9824395000000002 ] [ 0.03792890000000001 2.1999323000000004 -0.9932053000000002 ] [ 0.23023810000000006 -0.25094760000000005 -2.4786307000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.139648503897947e-10 -5.539120361366598e-10 8.790127410772045e-10 ] [ 8.93936055116934e-11 -1.293739527359036e-09 1.983801489717411e-09 ] [ 1.045307300232303e-09 -6.180156039159901e-10 1.971530899530595e-09 ] [ 4.227322220512758e-10 -3.380507942596062e-09 1.291274578607627e-09 ] [ 1.781966487160944e-10 3.77632744242006e-09 1.01091641856583e-09 ] [ -1.351315987749114e-09 -1.052770078775812e-09 -1.574041611218643e-09 ] [ 6.076879733332261e-11 3.524680127441878e-09 -1.59129032442496e-09 ] [ 3.688821040765555e-10 -4.020623810783785e-10 -3.971204191855065e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.4855036015624776 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.778625261462475e-20 } }