{ "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" [ [ -2.8015302 -5.4072767 -5.8819484 ] [ -10.5501763 -6.8916524 6.4412533 ] [ -1.5729371 15.0600191 -6.5927742 ] [ 7.2115764 0.6944058 -2.0549934 ] [ 4.4515539 5.6774256 7.0316265 ] [ -2.4176847 -2.8261597 5.6712601 ] [ 5.6791981 -6.3067617 -4.614424 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.488546188905148e-09 -8.663412310936575e-09 -9.423920211231966e-09 ] [ -1.690324581317825e-08 -1.104164435396021e-08 1.032002544591085e-08 ] [ -2.520123047608952e-09 2.412881051082146e-08 -1.056278868945342e-08 ] [ 1.155421910719303e-08 1.11256073810792e-09 -3.292462381378302e-09 ] [ 7.132175584811062e-09 9.096238562651413e-09 1.126590758449773e-08 ] [ -3.873557902805862e-09 -4.528006997987141e-09 9.08636034269587e-09 ] [ 9.09907842071178e-09 -1.010454614869686e-08 -7.393122251258419e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 7.4331912 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.19092851585763e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2667897 0.8206144 1.5833644 ] [ 1.1684155 1.1514175 3.0705526 ] [ 3.6551167 4.3175679 2.0993192 ] [ 5.0533713 3.2721274 1.439917 ] [ 4.8330208 2.4523931 5.2781277 ] [ 3.5579742 0.6892447 5.2190016 ] [ 4.7689958 0.3119995 3.2942274 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2667897e-10 8.206144e-11 1.5833644e-10 ] [ 1.1684155e-10 1.1514175e-10 3.0705526e-10 ] [ 3.655116700000001e-10 4.3175679e-10 2.0993192e-10 ] [ 5.053371300000001e-10 3.2721274e-10 1.439917e-10 ] [ 4.8330208e-10 2.4523931e-10 5.2781277e-10 ] [ 3.5579742e-10 6.892447e-11 5.2190016e-10 ] [ 4.7689958e-10 3.119995e-11 3.2942274e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.82e-05 2.55e-05 3.08e-05 ] [ 2.82e-05 -8.07e-05 -0.0001367 ] [ -0.0001362 0.0001019 6.42e-05 ] [ 0.0001362 -0.0001019 -6.42e-05 ] [ 6.44e-05 -6.94e-05 3.37e-05 ] [ 9.95e-05 6.05e-05 -5.24e-05 ] [ -9.4e-05 6.41e-05 0.0001246 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.5733374416256e-13 4.08555038304e-14 4.934703992064001e-14 ] [ 4.518138070656001e-14 -1.2929565329856e-13 -2.1901754406336e-13 ] [ -2.1821645575296e-13 1.6326179765952e-13 1.0285973905536e-13 ] [ 2.1821645575296e-13 -1.6326179765952e-13 -1.0285973905536e-13 ] [ 1.0318017437952e-13 -1.1119105748352e-13 5.399335212096e-14 ] [ 1.594165737696e-13 9.69316855584e-14 -8.395405492992e-14 ] [ -1.506046023552e-13 1.0269952139328e-13 1.9963120695168e-13 ] ] } "relaxed-potential-energy" { "source-value" -28.7634 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.608404701471872e-18 } }