{ "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" [ [ 2.69276 0.7489354 1.12344 ] [ 2.32609 2.279725 3.013569 ] [ 2.388377 0.2175567 3.770382 ] [ 2.168931 2.205605 5.63033 ] [ 4.69019 0.7206414 2.589749 ] [ 3.957875 2.675588 1.380487 ] [ 4.50812 1.505291 4.661584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69276e-10 7.489354e-11 1.12344e-10 ] [ 2.32609e-10 2.279725e-10 3.013569e-10 ] [ 2.388377e-10 2.175567e-11 3.770382e-10 ] [ 2.168931e-10 2.205605e-10 5.63033e-10 ] [ 4.690190000000001e-10 7.206414e-11 2.589749e-10 ] [ 3.957875e-10 2.675588e-10 1.380487e-10 ] [ 4.50812e-10 1.505291e-10 4.661584000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.4431781 -5.4462336 -1.8996949 ] [ -6.4196045 12.6369642 -0.8977789 ] [ 0.2983217 -10.3018975 2.9741959 ] [ 0.3834595 0.2324557 0.0271814 ] [ 4.3646988 -5.1668889 -4.9035305 ] [ 4.5663652 5.8686353 -1.2636921 ] [ 0.2499373 2.1769649 5.9633189 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.516579453070565e-09 -8.72582814533542e-09 -3.043646755432994e-09 ] [ -1.028534024468248e-08 2.024664859912657e-08 -1.438400364227541e-09 ] [ 4.779640532173115e-10 -1.650545932437797e-08 4.765187136659215e-09 ] [ 6.143698459236576e-10 3.724350879116985e-10 4.354940360061312e-11 ] [ 6.993018374193815e-09 -8.27826859785103e-09 -7.856321926479735e-09 ] [ 7.316123565474716e-09 9.402590273661595e-09 -2.024657938509656e-09 ] [ 4.004436987258758e-10 3.487882267082211e-09 9.554290123954774e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.311935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.972589441380925e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.436112 0.8331446 1.4975906 ] [ 1.8088229 2.8996527 2.8240439 ] [ 2.4663727 -0.3246554 3.7519245 ] [ 2.3650412 1.8184589 4.9718492 ] [ 4.7101667 0.2447555 2.7201369 ] [ 4.2008871 2.7420173 2.0014798 ] [ 4.7449404 2.139969 4.4025161 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.436112e-10 8.331446000000001e-11 1.4975906e-10 ] [ 1.8088229e-10 2.8996527e-10 2.8240439e-10 ] [ 2.4663727e-10 -3.246554e-11 3.7519245e-10 ] [ 2.3650412e-10 1.8184589e-10 4.9718492e-10 ] [ 4.7101667e-10 2.447555e-11 2.7201369e-10 ] [ 4.2008871e-10 2.7420173e-10 2.0014798e-10 ] [ 4.7449404e-10 2.139969e-10 4.4025161e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -1.96e-05 2.15e-05 ] [ -1.6e-06 1.03e-05 -7.4e-06 ] [ 1e-06 -4.3e-06 -2.26e-05 ] [ 1.19e-05 5.1e-06 -1.1e-05 ] [ -1.36e-05 4.04e-05 1.86e-05 ] [ -1.3e-06 -1.15e-05 2.63e-05 ] [ 3.7e-06 -2.04e-05 -2.54e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 -3.140266176767999e-14 3.44467973472e-14 ] [ -2.56348259328e-15 1.650241919424e-14 -1.185610699392e-14 ] [ 1.6021766208e-15 -6.889359469440001e-15 -3.620919163008e-14 ] [ 1.906590178752e-14 8.17110076608e-15 -1.76239428288e-14 ] [ -2.178960204288e-14 6.472793548032e-14 2.980048514688e-14 ] [ -2.08282960704e-15 -1.84250311392e-14 4.213724512704e-14 ] [ 5.928053496960001e-15 -3.268440306432e-14 -4.069528616832e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759033381772e-18 } }