{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.593193 1.569284 2.84459 ] [ 1.603337 4.216737 3.188357 ] [ 3.675145 1.205287 1.773064 ] [ 3.545696 2.526378 4.008338 ] [ 3.206595 3.44318 2.117333 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.593193e-10 1.569284e-10 2.84459e-10 ] [ 1.603337e-10 4.216737e-10 3.188357e-10 ] [ 3.675145e-10 1.205287e-10 1.773064e-10 ] [ 3.545696e-10 2.526378e-10 4.008338e-10 ] [ 3.206595e-10 3.44318e-10 2.117333e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5901041 0.2906902 0.2346429 ] [ -2.3363644 0.3172597 1.6157346 ] [ 0.2390692 -0.6270701 -0.0316503 ] [ 0.4398635 -1.0862056 2.3646726 ] [ 2.2475358 1.1053259 -4.1833998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.454509928582254e-10 4.657370423356761e-10 3.759393686167123e-10 ] [ -3.743268419349419e-09 5.083060740620217e-10 2.588692201537639e-09 ] [ 3.830310829933594e-10 -1.004677053822718e-09 -5.070937070130624e-11 ] [ 7.047390160432608e-10 -1.740293217702036e-09 3.78862315556635e-09 ] [ 3.600949313171025e-09 1.770927315344719e-09 -6.702545355019397e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.89972 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.387198304046618e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4374565 1.4846144 3.0881344 ] [ 1.6107398 3.8640707 3.127262 ] [ 3.4644439 1.3575518 1.8357058 ] [ 3.4736573 2.517615 4.005833 ] [ 3.6376685 3.7370141 1.8747468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4374565e-10 1.4846144e-10 3.0881344e-10 ] [ 1.6107398e-10 3.8640707e-10 3.127262e-10 ] [ 3.4644439e-10 1.3575518e-10 1.8357058e-10 ] [ 3.4736573e-10 2.517615e-10 4.005833e-10 ] [ 3.637668500000001e-10 3.7370141e-10 1.8747468e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.23e-05 -1.88e-05 7.8e-06 ] [ 3.4e-06 -3e-06 -1.61e-05 ] [ -4.3e-05 3.9e-06 9.6e-06 ] [ -1.42e-05 -3.3e-06 -7e-06 ] [ 2.16e-05 2.13e-05 5.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.175030485184e-14 -3.012092047104e-14 1.249697764224e-14 ] [ 5.44740051072e-15 -4.8065298624e-15 -2.579504359488e-14 ] [ -6.889359469439999e-14 6.24848882112e-15 1.538089555968e-14 ] [ -2.275090801536e-14 -5.28718284864e-15 -1.12152363456e-14 ] [ 3.460701500928e-14 3.412636202304e-14 9.13240673856e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.28693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.609453847060615e-18 } }