{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7465766 -0.3156216 -4.2908828 ] [ -3.5776215 -1.3482596 0.7717306 ] [ 0.223471 2.9403964 1.0623318 ] [ 1.0782449 -2.8016526 -0.3478536 ] [ 2.5491364 -1.3788768 0.5202067 ] [ 1.7515785 3.4166848 1.2258109 ] [ -0.2782325 -0.5126706 1.0586564 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.798324194956353e-09 -5.056815485394893e-10 -6.874752104752842e-09 ] [ -5.731981525371427e-09 -2.16015000988916e-09 1.236448724875956e-09 ] [ 3.580400116267968e-10 4.711034367964485e-09 1.702043173492381e-09 ] [ 1.727538770276834e-09 -4.488742295323535e-09 -5.573229053811148e-10 ] [ 4.084166743310277e-09 -2.209204171923517e-09 8.334630127235195e-10 ] [ 2.806338122195933e-09 5.474132507202724e-09 1.963965565501807e-09 ] [ -4.45777606646736e-10 -8.213888494915084e-10 1.696154533540293e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.088808 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.539017175894001e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5552074 2.5443011 1.3824973 ] [ 1.1107487 1.8287381 3.3269198 ] [ 2.015166 4.2109116 3.1854848 ] [ 4.6468949 1.1646505 1.604804 ] [ 3.4733338 1.3353218 3.8181755 ] [ 4.4087393 3.4635954 2.7914735 ] [ 3.3585348 3.4568715 5.156468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5552074e-10 2.5443011e-10 1.3824973e-10 ] [ 1.1107487e-10 1.8287381e-10 3.3269198e-10 ] [ 2.015166e-10 4.2109116e-10 3.1854848e-10 ] [ 4.646894900000001e-10 1.1646505e-10 1.604804e-10 ] [ 3.4733338e-10 1.3353218e-10 3.8181755e-10 ] [ 4.4087393e-10 3.4635954e-10 2.7914735e-10 ] [ 3.3585348e-10 3.4568715e-10 5.156468000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.43e-05 1.1e-06 5.52e-05 ] [ -5.3e-06 1.27e-05 2.2e-06 ] [ -8.2e-06 5.4e-06 -8.2e-06 ] [ 1.48e-05 -2.3e-06 4.71e-05 ] [ 6.6e-06 5.37e-05 -7.76e-05 ] [ -7.05e-05 -4.16e-05 -1.15e-05 ] [ 2.82e-05 -2.91e-05 -7.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.495465809344e-14 1.76239428288e-15 8.844014946816001e-14 ] [ -8.491536090240001e-15 2.034764308416e-14 3.52478856576e-15 ] [ -1.313784829056e-14 8.65175375232e-15 -1.313784829056e-14 ] [ 2.371221398784e-14 -3.68500622784e-15 7.546251883968001e-14 ] [ 1.057436569728e-14 8.603688453696e-14 -1.2432890577408e-13 ] [ -1.129534517664e-13 -6.665054742528e-14 -1.84250311392e-14 ] [ 4.518138070656001e-14 -4.662333966527999e-14 -1.153567166976e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.228499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.881833465487618e-18 } }