{ "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" [ [ 2.690681 1.842727 3.696963 ] [ 2.658202 3.646198 2.018485 ] [ 5.329976 0.2810446 1.792372 ] [ 5.111587 2.700534 2.069297 ] [ 3.393505 1.493232 0.8693091 ] [ 5.014849 1.504764 3.993476 ] [ 3.843884 3.656776 4.040771 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.690681e-10 1.842727e-10 3.696963e-10 ] [ 2.658202e-10 3.646198e-10 2.018485e-10 ] [ 5.329976000000001e-10 2.810446e-11 1.792372e-10 ] [ 5.111587e-10 2.700534e-10 2.069297e-10 ] [ 3.393505e-10 1.493232e-10 8.693091e-11 ] [ 5.014849e-10 1.504764e-10 3.993476e-10 ] [ 3.843884e-10 3.656776e-10 4.040771000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.2335176 0.2523561 -5.6212768 ] [ 6.2502623 -7.4768658 4.0584932 ] [ -4.3774557 7.9658153 2.588937 ] [ -8.6925738 -4.4608514 2.888194 ] [ 4.5116792 3.5312745 7.7277753 ] [ -5.295174 3.2544111 -5.8693491 ] [ 3.3697444 -3.0661399 -5.7727736 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.782842922465326e-09 4.043190435362669e-10 -9.006278268005439e-09 ] [ 1.001402413092764e-08 -1.197925958161909e-08 6.502422920715779e-09 ] [ -7.013457181127698e-09 1.276264303927094e-08 4.14793433412409e-09 ] [ -1.392703851693862e-08 -7.147071821942949e-09 4.627396903134835e-09 ] [ 7.228506934789646e-09 5.65772544552721e-09 1.238126091645571e-08 ] [ -8.48380398586802e-09 5.214141378892011e-09 -9.403733907333522e-09 ] [ 5.398925695751724e-09 -4.91249766388205e-09 -9.249002899091451e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.605232 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.864804690936003e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1549962 1.6070721 3.1473314 ] [ 2.7942881 3.4914829 2.0593558 ] [ 4.8034318 0.5098813 2.1759194 ] [ 4.8571984 2.7144357 2.1328608 ] [ 3.3354605 1.6427507 0.9493846 ] [ 5.1695138 1.6584608 4.0439305 ] [ 3.9277952 3.5011921 3.9718906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1549962e-10 1.6070721e-10 3.1473314e-10 ] [ 2.7942881e-10 3.4914829e-10 2.0593558e-10 ] [ 4.8034318e-10 5.098813e-11 2.1759194e-10 ] [ 4.8571984e-10 2.7144357e-10 2.1328608e-10 ] [ 3.3354605e-10 1.6427507e-10 9.493846e-11 ] [ 5.1695138e-10 1.6584608e-10 4.0439305e-10 ] [ 3.9277952e-10 3.5011921e-10 3.9718906e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.4e-05 -3.68e-05 -1.88e-05 ] [ 3.58e-05 -3e-06 6.88e-05 ] [ -7.31e-05 6.57e-05 3.2e-06 ] [ 1.18e-05 -3.21e-05 5e-06 ] [ 8.65e-05 5.3e-06 0.0001426 ] [ -8.02e-05 1.47e-05 -0.0001117 ] [ -4.49e-05 -1.37e-05 -8.91e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.025393037312e-13 -5.896009964544001e-14 -3.012092047104e-14 ] [ 5.735792302464001e-14 -4.8065298624e-15 1.1022975151104e-13 ] [ -1.1711911098048e-13 1.0526300398656e-13 5.126965186560001e-15 ] [ 1.890568412544e-14 -5.142986952768e-14 8.010883104e-15 ] [ 1.385882776992e-13 8.491536090240001e-15 2.2847038612608e-13 ] [ -1.2849456498816e-13 2.355199632576e-14 -1.7896312854336e-13 ] [ -7.193773027392e-14 -2.194981970496e-14 -1.4275393691328e-13 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }