{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0068904 0.1581444 0.9739303 ] [ 1.486449 0.0094288 0.6635661 ] [ 1.283407 0.7092398 2.988588 ] [ 0.3149749 1.776241 2.685574 ] [ 2.9726 1.648627 0.444947 ] [ 2.196005 2.727691 2.654363 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.8904e-13 1.581444e-11 9.739303e-11 ] [ 1.486449e-10 9.4288e-13 6.635661000000001e-11 ] [ 1.283407e-10 7.092398e-11 2.988588e-10 ] [ 3.149749e-11 1.776241e-10 2.685574e-10 ] [ 2.9726e-10 1.648627e-10 4.44947e-11 ] [ 2.196005e-10 2.727691e-10 2.654363e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3303695 0.7602454 0.453555 ] [ 2.429731 -1.4818843 -0.7146517 ] [ 1.1491496 -2.6917016 0.5562396 ] [ -3.9844245 0.739291 -0.1289943 ] [ -0.5444518 1.2738883 1.664117 ] [ 3.2803652 1.4001612 -1.8302657 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.733663530725386e-09 1.218047405950744e-09 7.266752172469439e-10 ] [ 3.892858203033005e-09 -2.374240380190574e-09 -1.144998245754975e-09 ] [ 1.841140622921672e-09 -4.312581373689953e-09 8.911940826831436e-10 ] [ -6.38375178124273e-09 1.184474756167853e-09 -2.066716516764615e-10 ] [ -8.723079451124775e-10 2.040994051770657e-09 2.666209351675834e-09 ] [ 5.255724431125916e-09 2.243305539991273e-09 -2.932408914392147e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.439343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.153220115351213e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.4033196 0.3926831 1.0143534 ] [ 1.8047513 -0.181161 0.7137561 ] [ 1.7128843 0.4207049 2.9577236 ] [ -0.0696146 1.9555686 2.6648943 ] [ 3.0347029 1.7486298 0.5790933 ] [ 2.180922 2.6929465 2.4811478 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.033196e-11 3.926831e-11 1.0143534e-10 ] [ 1.8047513e-10 -1.81161e-11 7.137561e-11 ] [ 1.7128843e-10 4.207049e-11 2.9577236e-10 ] [ -6.961460000000001e-12 1.9555686e-10 2.6648943e-10 ] [ 3.0347029e-10 1.7486298e-10 5.790933e-11 ] [ 2.180922e-10 2.6929465e-10 2.4811478e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.75e-05 2.56e-05 3.53e-05 ] [ -5.7e-06 2.1e-06 1.57e-05 ] [ -3e-05 3.11e-05 -3.53e-05 ] [ 1.99e-05 -3.51e-05 -1.13e-05 ] [ 3.5e-06 7e-06 8.9e-06 ] [ -1.52e-05 -3.07e-05 -1.33e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.4059857072e-14 4.101572149248001e-14 5.655683471424e-14 ] [ -9.13240673856e-15 3.36457090368e-15 2.515417294656e-14 ] [ -4.8065298624e-14 4.982769290688e-14 -5.655683471424e-14 ] [ 3.188331475392e-14 -5.623639939008e-14 -1.810459581504e-14 ] [ 5.6076181728e-15 1.12152363456e-14 1.425937192512e-14 ] [ -2.435308463616e-14 -4.918682225856e-14 -2.130894905664e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.48669 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.961894251397715e-18 } }