{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3072128 -3.0482166 -2.0705465 ] [ -4.786476 -4.614771 4.7439118 ] [ -0.0652916 7.7867268 -3.1371931 ] [ 3.3335879 -0.1183219 -0.5269536 ] [ 2.0124674 2.9108469 1.8019308 ] [ -3.2231548 -1.5231315 3.8238714 ] [ 3.03608 -1.3931327 -4.6350208 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.922091657705063e-10 -4.883781371654466e-09 -3.317381194579267e-09 ] [ -7.668779943220301e-09 -7.393678206545837e-09 7.600584577097246e-09 ] [ -1.046086750546253e-10 1.24757116315168e-08 -5.026337439755077e-09 ] [ 5.340996596761768e-09 -1.895725819086355e-10 -8.442727381663949e-10 ] [ 3.224328218402162e-09 4.663690849908156e-09 2.887011400059441e-09 ] [ -5.1640632657793e-09 -2.440325679704036e-09 6.126517358025765e-09 ] [ 4.864336394878464e-09 -2.23204464161198e-09 -7.426121962681713e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.037269 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.210324393648059e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9754328 1.4358758 1.2150773 ] [ 2.0004092 1.5259001 3.6056484 ] [ 2.8694524 3.6637668 2.4446235 ] [ 5.1252741 2.5995472 1.9296291 ] [ 4.3379551 2.7911736 4.3825934 ] [ 3.5419664 0.6303363 5.3612454 ] [ 4.4531939 0.3687649 3.0456929 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9754328e-10 1.4358758e-10 1.2150773e-10 ] [ 2.0004092e-10 1.5259001e-10 3.6056484e-10 ] [ 2.8694524e-10 3.6637668e-10 2.4446235e-10 ] [ 5.1252741e-10 2.5995472e-10 1.9296291e-10 ] [ 4.3379551e-10 2.7911736e-10 4.382593400000001e-10 ] [ 3.541966400000001e-10 6.303363e-11 5.3612454e-10 ] [ 4.4531939e-10 3.687649e-11 3.0456929e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.17e-05 3e-05 -8.87e-05 ] [ -5.44e-05 1.34e-05 5.74e-05 ] [ -1.18e-05 4.5e-06 -3.79e-05 ] [ -1.18e-05 -2.1e-06 -6.79e-05 ] [ 6.6e-06 8.1e-06 9.54e-05 ] [ -2e-06 -8.5e-06 6.36e-05 ] [ 4.17e-05 -4.54e-05 -2.2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.078899887936e-14 4.8065298624e-14 -1.4211306626496e-13 ] [ -8.715840817152e-14 2.146916671872e-14 9.196493803392e-14 ] [ -1.890568412544e-14 7.2097947936e-15 -6.072249392832e-14 ] [ -1.890568412544e-14 -3.36457090368e-15 -1.0878779255232e-13 ] [ 1.057436569728e-14 1.297763062848e-14 1.5284764962432e-13 ] [ -3.2043532416e-15 -1.36185012768e-14 1.0189843308288e-13 ] [ 6.681076508736e-14 -7.273881858432e-14 -3.52478856576e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.005399 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.84608890507757e-18 } }