{ "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" [ [ 2.164327 2.183765 1.328393 ] [ 2.70587 2.068279 5.162644 ] [ 0.8559813 1.907046 3.441903 ] [ 2.386273 0.2061938 3.516969 ] [ 3.489815 3.035472 2.979319 ] [ 4.556806 1.225964 3.894732 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.164327e-10 2.183765e-10 1.328393e-10 ] [ 2.70587e-10 2.068279e-10 5.162644000000001e-10 ] [ 8.559813e-11 1.907046e-10 3.441903e-10 ] [ 2.386273e-10 2.061938e-11 3.516969e-10 ] [ 3.489815e-10 3.035472e-10 2.979319e-10 ] [ 4.556806e-10 1.225964e-10 3.894732e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7024481 0.3645682 -1.0962896 ] [ -3.7491035 5.2917785 12.0941137 ] [ -3.9160293 2.5480942 -1.7275649 ] [ -2.4334392 -9.5680602 -3.9328896 ] [ -0.6867886 5.5575398 -4.8764573 ] [ 11.4878087 -4.1939204 -0.4609124 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.125445932417695e-09 5.841026515394387e-10 -1.756449581217206e-09 ] [ -6.006726026147618e-09 8.478363865003568e-09 1.937690637907928e-08 ] [ -6.274170642519375e-09 4.082496988470922e-09 -2.767864116498546e-09 ] [ -3.898799426499652e-09 -1.532972248514536e-08 -6.301183821221606e-09 ] [ -1.100356647417572e-09 8.904160410085032e-09 -7.812945942758727e-09 ] [ 1.840549867500191e-08 -6.719401269735932e-09 -7.384630776008616e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.487552 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.801814720025997e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0062733 2.5782379 1.1100276 ] [ 2.6515173 2.1323386 5.1871979 ] [ 1.1259982 1.8254222 3.2275028 ] [ 2.4232813 -0.155158 3.993326 ] [ 3.3764586 3.1419327 3.0153344 ] [ 4.5755436 1.1039464 3.7905712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0062733e-10 2.5782379e-10 1.1100276e-10 ] [ 2.6515173e-10 2.1323386e-10 5.1871979e-10 ] [ 1.1259982e-10 1.8254222e-10 3.2275028e-10 ] [ 2.4232813e-10 -1.55158e-11 3.993326e-10 ] [ 3.3764586e-10 3.1419327e-10 3.0153344e-10 ] [ 4.5755436e-10 1.1039464e-10 3.7905712e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.84e-05 2.06e-05 1.92e-05 ] [ -6.59e-05 0.0001528 5.39e-05 ] [ -6.14e-05 3.14e-05 -9.8e-06 ] [ -7.93e-05 -0.0002733 2.23e-05 ] [ -1.02e-05 0.0001035 -2.15e-05 ] [ 0.0001884 -3.51e-05 -6.42e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.550181640559999e-14 3.300483866039999e-14 3.076179137279999e-14 ] [ -1.055834401806e-13 2.448125896752e-13 8.635732057259999e-14 ] [ -9.83736453276e-14 5.030834630759999e-14 -1.57013310132e-14 ] [ -1.270526070762e-13 -4.378748740721999e-13 3.572853893819999e-14 ] [ -1.63422016668e-14 1.65825281619e-13 -3.4446797631e-14 ] [ 3.018500778456e-13 -5.62363998534e-14 -1.028597399028e-13 ] ] } "relaxed-potential-energy" { "source-value" -21.043378 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.371520853202965e-18 } }