{ "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" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0832944 -0.6840971 -11.1069066 ] [ -9.3282646 -5.3663594 5.0365645 ] [ -4.4288299 4.692066 0.7710958 ] [ 1.4135616 -9.0350017 -2.5802989 ] [ 8.2256005 4.4094118 -4.9210202 ] [ 2.3931982 -1.5525198 7.8441976 ] [ 4.8080286 7.5365003 4.9563677 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.939982202723564e-09 -1.09604437997708e-09 -1.779522608392922e-08 ] [ -1.494552745475626e-08 -8.597855569490316e-09 8.069465891051241e-09 ] [ -7.095767723280002e-09 7.517518448450573e-09 1.235431663157073e-09 ] [ 2.264775347580641e-09 -1.447566849262826e-08 -4.134094572255956e-09 ] [ 1.317886481314079e-08 7.064656497439646e-09 -7.88434351492454e-09 ] [ 3.834326204980643e-09 -2.487410926889092e-09 1.256779000365547e-08 ] [ 7.703311015057755e-09 1.207480458331219e-08 7.940976453028268e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.09555 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.777703080491744e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8560165 2.0070341 0.827573 ] [ 1.7880342 0.8739441 3.8225164 ] [ 1.9759938 3.0355263 2.8051124 ] [ 3.8532732 0.0767871 2.3549666 ] [ 5.1764133 2.3034392 1.7669344 ] [ 4.1085036 1.1700593 4.7618271 ] [ 4.2083564 3.3204846 3.7089331 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8560165e-10 2.0070341e-10 8.27573e-11 ] [ 1.7880342e-10 8.739441000000001e-11 3.8225164e-10 ] [ 1.9759938e-10 3.0355263e-10 2.8051124e-10 ] [ 3.8532732e-10 7.67871e-12 2.3549666e-10 ] [ 5.1764133e-10 2.3034392e-10 1.7669344e-10 ] [ 4.1085036e-10 1.1700593e-10 4.7618271e-10 ] [ 4.208356400000001e-10 3.3204846e-10 3.7089331e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.95e-05 6.26e-05 -5.92e-05 ] [ 3e-05 -1.74e-05 5.49e-05 ] [ -0.0 -2.01e-05 -2.44e-05 ] [ 1.71e-05 -3.12e-05 1.08e-05 ] [ 5.9e-06 -1.17e-05 8.7e-06 ] [ -4.45e-05 2.25e-05 -8.4e-06 ] [ 2.11e-05 -4.7e-06 1.76e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.72642103136e-14 1.0029625646208e-13 -9.484885595136001e-14 ] [ 4.8065298624e-14 -2.787787320192e-14 8.795949648192e-14 ] [ 0.0 -3.220375007808e-14 -3.909310954752e-14 ] [ 2.739722021568e-14 -4.998791056896e-14 1.730350750464e-14 ] [ 9.45284206272e-15 -1.874546646336e-14 1.393893660096e-14 ] [ -7.129685962560001e-14 3.604897396800001e-14 -1.345828361472e-14 ] [ 3.380592669888e-14 -7.53023011776e-15 2.819830852608e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.765666 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.846373471814145e-18 } }